1-(1-hydroxycyclohexyl)tridecan-1-one

C19H36O2 — CID 103449729

IUPAC1-(1-hydroxycyclohexyl)tridecan-1-one
SMILESCCCCCCCCCCCCC(=O)C1(O)CCCCC1
InChIInChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-12-15-18(20)19(21)16-13-11-14-17-19/h21H,2-17H2,1H3
InChIKeyWPPCVRZMJDEBKS-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.56
Rot. Bonds12

About 1-(1-hydroxycyclohexyl)tridecan-1-one

1-(1-hydroxycyclohexyl)tridecan-1-one (PubChem CID 103449729) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(1-hydroxycyclohexyl)tridecan-1-one.

Molecular Properties

Compound Name1-(1-hydroxycyclohexyl)tridecan-1-one
PubChem CID103449729
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name1-(1-hydroxycyclohexyl)tridecan-1-one
SMILESCCCCCCCCCCCCC(=O)C1(O)CCCCC1
InChIInChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-12-15-18(20)19(21)16-13-11-14-17-19/h21H,2-17H2,1H3
InChIKeyWPPCVRZMJDEBKS-UHFFFAOYSA-N
XLogP5.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethylcyclopentyl)heptan-1-one
CID 114966682
1-[1-(aminomethyl)cyclohexyl]decan-1-one
CID 116600522
1-(1-piperidin-1-ylcyclopentyl)nonan-1-one
CID 79059235
1-(1-hydroxycyclohexyl)-5-methylhexan-1-one
CID 103449709
1-(1-aminocyclobutyl)octan-1-one
CID 116598372
cyclohexane;octanoyl chloride
CID 175478267
1-(1-aminocyclopropyl)tridecan-1-one
CID 116576674
1-(3-methylpiperidin-3-yl)heptan-1-one
CID 116569464
1-(1-hydroxycycloheptyl)hex-5-en-1-one
CID 103450126
N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide
CID 103969577
cyclohexane;heptan-2-one
CID 159731064
1-(3-propylpiperidin-3-yl)heptan-1-one
CID 116569742

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycyclohexyl)tridecan-1-one?
The IUPAC name of 1-(1-hydroxycyclohexyl)tridecan-1-one (CID 103449729) is 1-(1-hydroxycyclohexyl)tridecan-1-one.
What is the SMILES notation for 1-(1-hydroxycyclohexyl)tridecan-1-one?
The canonical SMILES for 1-(1-hydroxycyclohexyl)tridecan-1-one is CCCCCCCCCCCCC(=O)C1(O)CCCCC1.
What is the InChIKey of 1-(1-hydroxycyclohexyl)tridecan-1-one?
The InChIKey is WPPCVRZMJDEBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-12-15-18(20)19(21)16-13-11-14-17-19/h21H,2-17H2,1H3.
What are the key properties of 1-(1-hydroxycyclohexyl)tridecan-1-one?
1-(1-hydroxycyclohexyl)tridecan-1-one has a molecular weight of 296.50 g/mol, XLogP of 5.56, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycyclohexyl)tridecan-1-one is sourced from PubChem (CID 103449729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).