1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one

C12H20O — CID 66957573

IUPAC1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)C1C/C=C\CCCC1
InChIInChI=1S/C12H20O/c1-10(2)12(13)11-8-6-4-3-5-7-9-11/h4,6,10-11H,3,5,7-9H2,1-2H3/b6-4-
InChIKeyYWIZIDVTFPRAMI-XQRVVYSFSA-N
MW180.29 g/mol
LogP3.35
Rot. Bonds2

About 1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one

1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one (PubChem CID 66957573) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one
PubChem CID66957573
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)C1C/C=C\CCCC1
InChIInChI=1S/C12H20O/c1-10(2)12(13)11-8-6-4-3-5-7-9-11/h4,6,10-11H,3,5,7-9H2,1-2H3/b6-4-
InChIKeyYWIZIDVTFPRAMI-XQRVVYSFSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclooct-3-en-1-ylethanone
CID 66747175
1-[(1R,3Z)-cyclooct-3-en-1-yl]ethanone
CID 175990240
(2S)-1-[(1S)-cyclohex-3-en-1-yl]-2-hydroxy-3-methylbutan-1-one
CID 134993534
cyclodec-3-ene-1-carboxylic acid
CID 68707781
1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one
CID 91067725
1-[(1R)-cyclohex-3-en-1-yl]ethanone
CID 15562643
(1R)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983299
acetic acid;cyclooct-3-en-1-ol
CID 71356178
(1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983300
(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 25474228
1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone
CID 15875364
2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid
CID 24699400

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one (CID 66957573) is 1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one is CC(C)C(=O)C1C/C=C\CCCC1.
What is the InChIKey of 1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one?
The InChIKey is YWIZIDVTFPRAMI-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H20O/c1-10(2)12(13)11-8-6-4-3-5-7-9-11/h4,6,10-11H,3,5,7-9H2,1-2H3/b6-4-.
What are the key properties of 1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one?
1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one has a molecular weight of 180.29 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 66957573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).