2-methoxy-2-prop-2-enylcyclohexan-1-one

C10H16O2 — CID 11378728

IUPAC2-methoxy-2-prop-2-enylcyclohexan-1-one
SMILESC=CCC1(OC)CCCCC1=O
InChIInChI=1S/C10H16O2/c1-3-7-10(12-2)8-5-4-6-9(10)11/h3H,1,4-8H2,2H3
InChIKeyWFIJTMYHWRIDDE-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds3

About 2-methoxy-2-prop-2-enylcyclohexan-1-one

2-methoxy-2-prop-2-enylcyclohexan-1-one (PubChem CID 11378728) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methoxy-2-prop-2-enylcyclohexan-1-one.

Molecular Properties

Compound Name2-methoxy-2-prop-2-enylcyclohexan-1-one
PubChem CID11378728
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methoxy-2-prop-2-enylcyclohexan-1-one
SMILESC=CCC1(OC)CCCCC1=O
InChIInChI=1S/C10H16O2/c1-3-7-10(12-2)8-5-4-6-9(10)11/h3H,1,4-8H2,2H3
InChIKeyWFIJTMYHWRIDDE-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
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-(1-Methoxy-4-methylidenecyclohexyl)ethanone
CID 90364768
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-Hydroxy-2-prop-2-enylcyclohexan-1-one
CID 10888124
Cyclohexanone, 2-hydroxy-2-(2-propenyl)-, (2R)-
CID 10888127
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
2-Methoxy-2-methyloct-7-en-3-one
CID 79198204

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-prop-2-enylcyclohexan-1-one?
The IUPAC name of 2-methoxy-2-prop-2-enylcyclohexan-1-one (CID 11378728) is 2-methoxy-2-prop-2-enylcyclohexan-1-one.
What is the SMILES notation for 2-methoxy-2-prop-2-enylcyclohexan-1-one?
The canonical SMILES for 2-methoxy-2-prop-2-enylcyclohexan-1-one is C=CCC1(OC)CCCCC1=O.
What is the InChIKey of 2-methoxy-2-prop-2-enylcyclohexan-1-one?
The InChIKey is WFIJTMYHWRIDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-7-10(12-2)8-5-4-6-9(10)11/h3H,1,4-8H2,2H3.
What are the key properties of 2-methoxy-2-prop-2-enylcyclohexan-1-one?
2-methoxy-2-prop-2-enylcyclohexan-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-prop-2-enylcyclohexan-1-one is sourced from PubChem (CID 11378728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).