1-cyclooct-3-en-1-ylethanone

C10H16O — CID 66747175

IUPAC1-cyclooct-3-en-1-ylethanone
SMILESCC(=O)C1CC=CCCCC1
InChIInChI=1S/C10H16O/c1-9(11)10-7-5-3-2-4-6-8-10/h3,5,10H,2,4,6-8H2,1H3
InChIKeyOTAKUJWURRXKOW-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds1

About 1-cyclooct-3-en-1-ylethanone

1-cyclooct-3-en-1-ylethanone (PubChem CID 66747175) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-cyclooct-3-en-1-ylethanone.

Molecular Properties

Compound Name1-cyclooct-3-en-1-ylethanone
PubChem CID66747175
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-cyclooct-3-en-1-ylethanone
SMILESCC(=O)C1CC=CCCCC1
InChIInChI=1S/C10H16O/c1-9(11)10-7-5-3-2-4-6-8-10/h3,5,10H,2,4,6-8H2,1H3
InChIKeyOTAKUJWURRXKOW-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
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-[(1R,3Z)-cyclooct-3-en-1-yl]ethanone
CID 175990240
1-[(1R)-cyclohex-3-en-1-yl]ethanone
CID 15562643
1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone
CID 15875364
cyclodec-3-ene-1-carboxylic acid
CID 68707781
1-[(3Z)-cyclooct-3-en-1-yl]-2-methylpropan-1-one
CID 66957573
acetic acid;cyclooct-3-en-1-ol
CID 71356178
(1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983300
(1R)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983299
1-[3-(cyclohex-3-ene-1-carbonyl)cyclopent-3-en-1-yl]ethanone
CID 146987547
acetic acid;cyclohexene
CID 20501047
1-cyclopentylethanone;propane
CID 145026358
1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one
CID 161178366

Frequently Asked Questions

What is the IUPAC name of 1-cyclooct-3-en-1-ylethanone?
The IUPAC name of 1-cyclooct-3-en-1-ylethanone (CID 66747175) is 1-cyclooct-3-en-1-ylethanone.
What is the SMILES notation for 1-cyclooct-3-en-1-ylethanone?
The canonical SMILES for 1-cyclooct-3-en-1-ylethanone is CC(=O)C1CC=CCCCC1.
What is the InChIKey of 1-cyclooct-3-en-1-ylethanone?
The InChIKey is OTAKUJWURRXKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9(11)10-7-5-3-2-4-6-8-10/h3,5,10H,2,4,6-8H2,1H3.
What are the key properties of 1-cyclooct-3-en-1-ylethanone?
1-cyclooct-3-en-1-ylethanone has a molecular weight of 152.24 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooct-3-en-1-ylethanone is sourced from PubChem (CID 66747175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).