1-cyclohexyl-1-hydroxynon-8-en-2-one

C15H26O2 — CID 107008454

IUPAC1-cyclohexyl-1-hydroxynon-8-en-2-one
SMILESC=CCCCCCC(=O)C(O)C1CCCCC1
InChIInChI=1S/C15H26O2/c1-2-3-4-5-9-12-14(16)15(17)13-10-7-6-8-11-13/h2,13,15,17H,1,3-12H2
InChIKeyYAXFSUGRJKDPJH-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.63
Rot. Bonds8

About 1-cyclohexyl-1-hydroxynon-8-en-2-one

1-cyclohexyl-1-hydroxynon-8-en-2-one (PubChem CID 107008454) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-cyclohexyl-1-hydroxynon-8-en-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-hydroxynon-8-en-2-one
PubChem CID107008454
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-cyclohexyl-1-hydroxynon-8-en-2-one
SMILESC=CCCCCCC(=O)C(O)C1CCCCC1
InChIInChI=1S/C15H26O2/c1-2-3-4-5-9-12-14(16)15(17)13-10-7-6-8-11-13/h2,13,15,17H,1,3-12H2
InChIKeyYAXFSUGRJKDPJH-UHFFFAOYSA-N
XLogP3.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,4-dicyclohexyl-1-hydroxybutan-2-one
CID 114191974
1-cyclohexyl-1-methoxynon-8-en-2-ol
CID 107008733
2-cyclopentylhept-6-enoic acid
CID 112569181
tricosa-1,22-dien-12-one
CID 86210796
1-cyclohexyl-1-hydroxy-4-methylpent-4-en-2-one
CID 103457687
1-cyclohexyl-N-methyloct-7-en-1-amine
CID 107008890
2-cyclohexyl-2-(hept-6-enoxycarbonylamino)acetic acid
CID 66782617
1-(thiolan-2-yl)oct-7-en-1-one
CID 57023203
1-cycloheptyloct-7-enylhydrazine
CID 107012509

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-hydroxynon-8-en-2-one?
The IUPAC name of 1-cyclohexyl-1-hydroxynon-8-en-2-one (CID 107008454) is 1-cyclohexyl-1-hydroxynon-8-en-2-one.
What is the SMILES notation for 1-cyclohexyl-1-hydroxynon-8-en-2-one?
The canonical SMILES for 1-cyclohexyl-1-hydroxynon-8-en-2-one is C=CCCCCCC(=O)C(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-hydroxynon-8-en-2-one?
The InChIKey is YAXFSUGRJKDPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-4-5-9-12-14(16)15(17)13-10-7-6-8-11-13/h2,13,15,17H,1,3-12H2.
What are the key properties of 1-cyclohexyl-1-hydroxynon-8-en-2-one?
1-cyclohexyl-1-hydroxynon-8-en-2-one has a molecular weight of 238.37 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-hydroxynon-8-en-2-one is sourced from PubChem (CID 107008454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).