6-cyclohexylidenehex-1-yn-3-yl acetate

C14H20O2 — CID 154275737

IUPAC6-cyclohexylidenehex-1-yn-3-yl acetate
SMILESC#CC(CCC=C1CCCCC1)OC(C)=O
InChIInChI=1S/C14H20O2/c1-3-14(16-12(2)15)11-7-10-13-8-5-4-6-9-13/h1,10,14H,4-9,11H2,2H3
InChIKeyXBQVWLUVFIOLDR-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.22
Rot. Bonds4

About 6-cyclohexylidenehex-1-yn-3-yl acetate

6-cyclohexylidenehex-1-yn-3-yl acetate (PubChem CID 154275737) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 6-cyclohexylidenehex-1-yn-3-yl acetate.

Molecular Properties

Compound Name6-cyclohexylidenehex-1-yn-3-yl acetate
PubChem CID154275737
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name6-cyclohexylidenehex-1-yn-3-yl acetate
SMILESC#CC(CCC=C1CCCCC1)OC(C)=O
InChIInChI=1S/C14H20O2/c1-3-14(16-12(2)15)11-7-10-13-8-5-4-6-9-13/h1,10,14H,4-9,11H2,2H3
InChIKeyXBQVWLUVFIOLDR-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(4-acetyloxyhex-5-ynyl)-2-oxocyclohexane-1-carboxylate
CID 10495014
5-phenylpent-1-yn-3-yl acetate
CID 10035749
N-(5-cyclohexylidenepentyl)acetamide
CID 154717790
2-[(Z)-3-methylpent-2-en-4-ynoxy]ethylidenecyclohexane
CID 24775974
methyl 3-cyclooctylidenepropanoate
CID 11694083
methyl 3-cycloheptylidenepropanoate
CID 11600790
ethyl 2-(2-cyclohexylideneethyl)-3-oxobutanoate
CID 71735757
ethyl 2-acetyl-5-acetyloxy-2-methylhept-6-ynoate
CID 10539826
1-[(4-methoxyphenyl)methoxy]but-3-yn-2-yl acetate
CID 102441448
4-cyclohexylidenebutan-1-ol
CID 557018
pentylidenecyclopentadecane
CID 151655236
1-cyclooctylidenepropan-2-one
CID 12700422

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylidenehex-1-yn-3-yl acetate?
The IUPAC name of 6-cyclohexylidenehex-1-yn-3-yl acetate (CID 154275737) is 6-cyclohexylidenehex-1-yn-3-yl acetate.
What is the SMILES notation for 6-cyclohexylidenehex-1-yn-3-yl acetate?
The canonical SMILES for 6-cyclohexylidenehex-1-yn-3-yl acetate is C#CC(CCC=C1CCCCC1)OC(C)=O.
What is the InChIKey of 6-cyclohexylidenehex-1-yn-3-yl acetate?
The InChIKey is XBQVWLUVFIOLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-14(16-12(2)15)11-7-10-13-8-5-4-6-9-13/h1,10,14H,4-9,11H2,2H3.
What are the key properties of 6-cyclohexylidenehex-1-yn-3-yl acetate?
6-cyclohexylidenehex-1-yn-3-yl acetate has a molecular weight of 220.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylidenehex-1-yn-3-yl acetate is sourced from PubChem (CID 154275737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).