(3E)-3-ethylidenecyclohexene

C8H12 — CID 5367455

IUPAC(3E)-3-ethylidenecyclohexene
SMILESC/C=C1/C=CCCC1
InChIInChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2,4,6H,3,5,7H2,1H3/b8-2-
InChIKeyHCKKIWXIMBMLCD-WAPJZHGLSA-N
MW108.18 g/mol
LogP2.67
Rot. Bonds

About (3E)-3-ethylidenecyclohexene

(3E)-3-ethylidenecyclohexene (PubChem CID 5367455) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is (3E)-3-ethylidenecyclohexene.

Molecular Properties

Compound Name(3E)-3-ethylidenecyclohexene
PubChem CID5367455
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name(3E)-3-ethylidenecyclohexene
SMILESC/C=C1/C=CCCC1
InChIInChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2,4,6H,3,5,7H2,1H3/b8-2-
InChIKeyHCKKIWXIMBMLCD-WAPJZHGLSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidenecyclohexene?
The IUPAC name of (3E)-3-ethylidenecyclohexene (CID 5367455) is (3E)-3-ethylidenecyclohexene.
What is the SMILES notation for (3E)-3-ethylidenecyclohexene?
The canonical SMILES for (3E)-3-ethylidenecyclohexene is C/C=C1/C=CCCC1.
What is the InChIKey of (3E)-3-ethylidenecyclohexene?
The InChIKey is HCKKIWXIMBMLCD-WAPJZHGLSA-N. The full InChI is InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2,4,6H,3,5,7H2,1H3/b8-2-.
What are the key properties of (3E)-3-ethylidenecyclohexene?
(3E)-3-ethylidenecyclohexene has a molecular weight of 108.18 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidenecyclohexene is sourced from PubChem (CID 5367455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).