3-propan-2-ylidenecyclohexene

C9H14 — CID 12933622

IUPAC3-propan-2-ylidenecyclohexene
SMILESCC(C)=C1C=CCCC1
InChIInChI=1S/C9H14/c1-8(2)9-6-4-3-5-7-9/h4,6H,3,5,7H2,1-2H3
InChIKeySOZMDMDZAOUJQP-UHFFFAOYSA-N
MW122.21 g/mol
LogP3.06
Rot. Bonds

About 3-propan-2-ylidenecyclohexene

3-propan-2-ylidenecyclohexene (PubChem CID 12933622) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 3-propan-2-ylidenecyclohexene.

Molecular Properties

Compound Name3-propan-2-ylidenecyclohexene
PubChem CID12933622
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name3-propan-2-ylidenecyclohexene
SMILESCC(C)=C1C=CCCC1
InChIInChI=1S/C9H14/c1-8(2)9-6-4-3-5-7-9/h4,6H,3,5,7H2,1-2H3
InChIKeySOZMDMDZAOUJQP-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Myrcene
CID 31253
Farnesene
CID 5281516
beta-Farnesene
CID 5281517
Vinylcyclohexene
CID 17497
1-Methylcyclohexa-1,3-diene
CID 121731
1,3,5-Undecatriene
CID 61832
(3E,5E)-1,3,5-Undecatriene
CID 5367412
2-Methyl-1,3-cyclohexadiene
CID 73885
Isoterpinolene
CID 102443
1,3,5-Undecatriene, (3E,5Z)-
CID 5352367
1,3-Octadiene
CID 517653
(Z,E)-alpha-Farnesene
CID 5362889

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylidenecyclohexene?
The IUPAC name of 3-propan-2-ylidenecyclohexene (CID 12933622) is 3-propan-2-ylidenecyclohexene.
What is the SMILES notation for 3-propan-2-ylidenecyclohexene?
The canonical SMILES for 3-propan-2-ylidenecyclohexene is CC(C)=C1C=CCCC1.
What is the InChIKey of 3-propan-2-ylidenecyclohexene?
The InChIKey is SOZMDMDZAOUJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-8(2)9-6-4-3-5-7-9/h4,6H,3,5,7H2,1-2H3.
What are the key properties of 3-propan-2-ylidenecyclohexene?
3-propan-2-ylidenecyclohexene has a molecular weight of 122.21 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylidenecyclohexene is sourced from PubChem (CID 12933622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).