(2E)-2-ethylidenecyclohexan-1-one

C8H12O — CID 6392327

IUPAC(2E)-2-ethylidenecyclohexan-1-one
SMILESC/C=C1\CCCCC1=O
InChIInChI=1S/C8H12O/c1-2-7-5-3-4-6-8(7)9/h2H,3-6H2,1H3/b7-2+
InChIKeyYPRIHWWNQRSAQL-FARCUNLSSA-N
MW124.18 g/mol
LogP2.08
Rot. Bonds

About (2E)-2-ethylidenecyclohexan-1-one

(2E)-2-ethylidenecyclohexan-1-one (PubChem CID 6392327) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (2E)-2-ethylidenecyclohexan-1-one.

Molecular Properties

Compound Name(2E)-2-ethylidenecyclohexan-1-one
PubChem CID6392327
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(2E)-2-ethylidenecyclohexan-1-one
SMILESC/C=C1\CCCCC1=O
InChIInChI=1S/C8H12O/c1-2-7-5-3-4-6-8(7)9/h2H,3-6H2,1H3/b7-2+
InChIKeyYPRIHWWNQRSAQL-FARCUNLSSA-N
XLogP2.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidenecyclohexan-1-one?
The IUPAC name of (2E)-2-ethylidenecyclohexan-1-one (CID 6392327) is (2E)-2-ethylidenecyclohexan-1-one.
What is the SMILES notation for (2E)-2-ethylidenecyclohexan-1-one?
The canonical SMILES for (2E)-2-ethylidenecyclohexan-1-one is C/C=C1\CCCCC1=O.
What is the InChIKey of (2E)-2-ethylidenecyclohexan-1-one?
The InChIKey is YPRIHWWNQRSAQL-FARCUNLSSA-N. The full InChI is InChI=1S/C8H12O/c1-2-7-5-3-4-6-8(7)9/h2H,3-6H2,1H3/b7-2+.
What are the key properties of (2E)-2-ethylidenecyclohexan-1-one?
(2E)-2-ethylidenecyclohexan-1-one has a molecular weight of 124.18 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidenecyclohexan-1-one is sourced from PubChem (CID 6392327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).