(2E)-3-methyl-2-[[1-(oxan-2-yloxy)cyclopropyl]methylidene]cyclohexan-1-one

C16H24O3 — CID 134877600

IUPAC(2E)-3-methyl-2-[[1-(oxan-2-yloxy)cyclopropyl]methylidene]cyclohexan-1-one
SMILESCC1CCCC(=O)/C1=C/C1(OC2CCCCO2)CC1
InChIInChI=1S/C16H24O3/c1-12-5-4-6-14(17)13(12)11-16(8-9-16)19-15-7-2-3-10-18-15/h11-12,15H,2-10H2,1H3/b13-11+
InChIKeyZNPQLQQXLHBJCH-ACCUITESSA-N
MW264.36 g/mol
LogP3.38
Rot. Bonds3

About (2E)-3-methyl-2-[[1-(oxan-2-yloxy)cyclopropyl]methylidene]cyclohexan-1-one

(2E)-3-methyl-2-[[1-(oxan-2-yloxy)cyclopropyl]methylidene]cyclohexan-1-one (PubChem CID 134877600) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is (2E)-3-methyl-2-[[1-(oxan-2-yloxy)cyclopropyl]methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2E)-3-methyl-2-[[1-(oxan-2-yloxy)cyclopropyl]methylidene]cyclohexan-1-one
PubChem CID134877600
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name(2E)-3-methyl-2-[[1-(oxan-2-yloxy)cyclopropyl]methylidene]cyclohexan-1-one
SMILESCC1CCCC(=O)/C1=C/C1(OC2CCCCO2)CC1
InChIInChI=1S/C16H24O3/c1-12-5-4-6-14(17)13(12)11-16(8-9-16)19-15-7-2-3-10-18-15/h11-12,15H,2-10H2,1H3/b13-11+
InChIKeyZNPQLQQXLHBJCH-ACCUITESSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3,7,11-trimethyl-1-(oxan-2-yloxy)dodeca-2,10-dien-5-one
CID 15765002
5-(3-Methylbutyl)-2-(oxan-2-yloxymethyl)pyran-4-one
CID 86642392
3-[(1Z,3Z)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one
CID 10492881
3-[(1Z,3E)-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one
CID 10563591
(2E,7S)-3,7,11-trimethyl-1-(oxan-2-yloxy)dodeca-2,10-dien-5-one
CID 11120843
(2E,5R,6E,10E)-3,7,11-trimethyl-5-(oxan-2-yloxy)-14-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-one
CID 177600792

Frequently Asked Questions

What is the IUPAC name of (2E)-3-methyl-2-[[1-(oxan-2-yloxy)cyclopropyl]methylidene]cyclohexan-1-one?
The IUPAC name of (2E)-3-methyl-2-[[1-(oxan-2-yloxy)cyclopropyl]methylidene]cyclohexan-1-one (CID 134877600) is (2E)-3-methyl-2-[[1-(oxan-2-yloxy)cyclopropyl]methylidene]cyclohexan-1-one.
What is the SMILES notation for (2E)-3-methyl-2-[[1-(oxan-2-yloxy)cyclopropyl]methylidene]cyclohexan-1-one?
The canonical SMILES for (2E)-3-methyl-2-[[1-(oxan-2-yloxy)cyclopropyl]methylidene]cyclohexan-1-one is CC1CCCC(=O)/C1=C/C1(OC2CCCCO2)CC1.
What is the InChIKey of (2E)-3-methyl-2-[[1-(oxan-2-yloxy)cyclopropyl]methylidene]cyclohexan-1-one?
The InChIKey is ZNPQLQQXLHBJCH-ACCUITESSA-N. The full InChI is InChI=1S/C16H24O3/c1-12-5-4-6-14(17)13(12)11-16(8-9-16)19-15-7-2-3-10-18-15/h11-12,15H,2-10H2,1H3/b13-11+.
What are the key properties of (2E)-3-methyl-2-[[1-(oxan-2-yloxy)cyclopropyl]methylidene]cyclohexan-1-one?
(2E)-3-methyl-2-[[1-(oxan-2-yloxy)cyclopropyl]methylidene]cyclohexan-1-one has a molecular weight of 264.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-methyl-2-[[1-(oxan-2-yloxy)cyclopropyl]methylidene]cyclohexan-1-one is sourced from PubChem (CID 134877600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).