Summary

IMPPAT Phytochemical identifier: IMPHY010997

Phytochemical name: 3-Methyl-1-penten-3-ol

Synonymous chemical names:
3-methyl-1-penten-3-ol

External chemical identifiers:
CID:13519, ChEBI:88375, SureChEMBL:SCHEMBL123229, MolPort-001-792-060

---

Chemical structure information

SMILES:
CC(C=C)(CC)O

InChI:
InChI=1S/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3

InChIKey:
HFYAEUXHCMTPOL-UHFFFAOYSA-N

DeepSMILES:
CCC=C))CC))O

Functional groups:
C=CC, CO

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids, Terpenoids

NP Classifier Superclass: Fatty acyls, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Fatty alcohols

NP-Likeness score: 1.762

---

Chemical structure download