1-(1-methoxycyclohexyl)pent-4-en-1-one

C12H20O2 — CID 116747980

IUPAC1-(1-methoxycyclohexyl)pent-4-en-1-one
SMILESC=CCCC(=O)C1(OC)CCCCC1
InChIInChI=1S/C12H20O2/c1-3-4-8-11(13)12(14-2)9-6-5-7-10-12/h3H,1,4-10H2,2H3
InChIKeyCILJXZPZCXVBRX-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.87
Rot. Bonds5

About 1-(1-methoxycyclohexyl)pent-4-en-1-one

1-(1-methoxycyclohexyl)pent-4-en-1-one (PubChem CID 116747980) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(1-methoxycyclohexyl)pent-4-en-1-one.

Molecular Properties

Compound Name1-(1-methoxycyclohexyl)pent-4-en-1-one
PubChem CID116747980
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-(1-methoxycyclohexyl)pent-4-en-1-one
SMILESC=CCCC(=O)C1(OC)CCCCC1
InChIInChI=1S/C12H20O2/c1-3-4-8-11(13)12(14-2)9-6-5-7-10-12/h3H,1,4-10H2,2H3
InChIKeyCILJXZPZCXVBRX-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxy-3-prop-2-enylheptan-2-one
CID 88759262
1-(1-Methoxy-4-methylidenecyclohexyl)ethanone
CID 90364768
4-Methylpent-1-enyl 2-cyclohexyl-2-oxoacetate
CID 140995903
2-Ethenyl-2-ethoxycyclohexan-1-one
CID 141401591
2-Ethoxy-2-methyldodec-11-en-3-one
CID 167140971
1-(1-Hydroxycyclohexyl)pent-4-en-1-one
CID 10012570
(2-Oxo-1-prop-2-enylcyclohexyl) acetate
CID 10330305
2-Methoxy-2-prop-2-enylcyclohexan-1-one
CID 11378728
2-[(E)-4-bromobut-2-enyl]-2-methoxycyclohexan-1-one
CID 11777417
1-Oxaspiro[5.5]undec-2-en-5-one
CID 15155872
1-(1-Methoxycyclohexyl)prop-2-en-1-one
CID 17760605
1-Allyl-2-oxocyclohexyl 3-butenoate
CID 24976917

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexyl)pent-4-en-1-one?
The IUPAC name of 1-(1-methoxycyclohexyl)pent-4-en-1-one (CID 116747980) is 1-(1-methoxycyclohexyl)pent-4-en-1-one.
What is the SMILES notation for 1-(1-methoxycyclohexyl)pent-4-en-1-one?
The canonical SMILES for 1-(1-methoxycyclohexyl)pent-4-en-1-one is C=CCCC(=O)C1(OC)CCCCC1.
What is the InChIKey of 1-(1-methoxycyclohexyl)pent-4-en-1-one?
The InChIKey is CILJXZPZCXVBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-4-8-11(13)12(14-2)9-6-5-7-10-12/h3H,1,4-10H2,2H3.
What are the key properties of 1-(1-methoxycyclohexyl)pent-4-en-1-one?
1-(1-methoxycyclohexyl)pent-4-en-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexyl)pent-4-en-1-one is sourced from PubChem (CID 116747980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).