8-(cyclohexen-1-yl)oct-7-yn-3-one

C14H20O — CID 101478958

IUPAC8-(cyclohexen-1-yl)oct-7-yn-3-one
SMILESCCC(=O)CCCC#CC1=CCCCC1
InChIInChI=1S/C14H20O/c1-2-14(15)12-8-4-7-11-13-9-5-3-6-10-13/h9H,2-6,8,10,12H2,1H3
InChIKeyHJLRGAOROJBPDK-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.64
Rot. Bonds4

About 8-(cyclohexen-1-yl)oct-7-yn-3-one

8-(cyclohexen-1-yl)oct-7-yn-3-one (PubChem CID 101478958) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 8-(cyclohexen-1-yl)oct-7-yn-3-one.

Molecular Properties

Compound Name8-(cyclohexen-1-yl)oct-7-yn-3-one
PubChem CID101478958
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name8-(cyclohexen-1-yl)oct-7-yn-3-one
SMILESCCC(=O)CCCC#CC1=CCCCC1
InChIInChI=1S/C14H20O/c1-2-14(15)12-8-4-7-11-13-9-5-3-6-10-13/h9H,2-6,8,10,12H2,1H3
InChIKeyHJLRGAOROJBPDK-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Hepten-4-one, 2-methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-, (6Z)-
CID 91698329
3-Methylcyclohex-3-en-1-one
CID 520546
4-Methylcyclohex-3-en-1-one
CID 78913
5-Methyl-5-hepten-2-one
CID 12663437
5-Methyl-5E-hepten-2-one
CID 12663436
Npc134188
CID 91698330
(6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-6,10,14,18,22-pentaen-1-yn-3-one
CID 14544618
2-Methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-4-one
CID 54223152
Pentadeca-7,13-dien-9,11-diyn-4-one
CID 85782894
(7E,13E)-pentadeca-7,13-dien-9,11-diyn-4-one
CID 101416443
4-Butyl-cyclohexen-3-one
CID 81795502
3-Butylcyclohex-3-en-1-one
CID 69808335

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexen-1-yl)oct-7-yn-3-one?
The IUPAC name of 8-(cyclohexen-1-yl)oct-7-yn-3-one (CID 101478958) is 8-(cyclohexen-1-yl)oct-7-yn-3-one.
What is the SMILES notation for 8-(cyclohexen-1-yl)oct-7-yn-3-one?
The canonical SMILES for 8-(cyclohexen-1-yl)oct-7-yn-3-one is CCC(=O)CCCC#CC1=CCCCC1.
What is the InChIKey of 8-(cyclohexen-1-yl)oct-7-yn-3-one?
The InChIKey is HJLRGAOROJBPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-2-14(15)12-8-4-7-11-13-9-5-3-6-10-13/h9H,2-6,8,10,12H2,1H3.
What are the key properties of 8-(cyclohexen-1-yl)oct-7-yn-3-one?
8-(cyclohexen-1-yl)oct-7-yn-3-one has a molecular weight of 204.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexen-1-yl)oct-7-yn-3-one is sourced from PubChem (CID 101478958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).