13-cyclohexyltridecanal

C19H36O — CID 173254784

IUPAC13-cyclohexyltridecanal
SMILESO=CCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C19H36O/c20-18-14-9-7-5-3-1-2-4-6-8-11-15-19-16-12-10-13-17-19/h18-19H,1-17H2
InChIKeyNOGCUZQUVGMKOJ-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.45
Rot. Bonds13

About 13-cyclohexyltridecanal

13-cyclohexyltridecanal (PubChem CID 173254784) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 13-cyclohexyltridecanal.

Molecular Properties

Compound Name13-cyclohexyltridecanal
PubChem CID173254784
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name13-cyclohexyltridecanal
SMILESO=CCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C19H36O/c20-18-14-9-7-5-3-1-2-4-6-8-11-15-19-16-12-10-13-17-19/h18-19H,1-17H2
InChIKeyNOGCUZQUVGMKOJ-UHFFFAOYSA-N
XLogP6.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(6-oxocyclodecyl)pentanal
CID 134887033
4-cyclopentylbutylcyclohexane
CID 144547696
ethane;octylcyclopentane;6-oxohexanoic acid
CID 142072660
[(E)-non-7-enyl]cyclohexane
CID 142802500
hex-5-enylcyclopentane
CID 20565123
5-cyclobutylpentylcyclobutane
CID 173228999
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
(Z)-18-cyclohexyloctadec-9-enoic acid
CID 70304704
4-cyclohexylbutyl formate
CID 87468651
3-cyclobutylpropylcyclohexane
CID 54165208
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyltridecanal?
The IUPAC name of 13-cyclohexyltridecanal (CID 173254784) is 13-cyclohexyltridecanal.
What is the SMILES notation for 13-cyclohexyltridecanal?
The canonical SMILES for 13-cyclohexyltridecanal is O=CCCCCCCCCCCCCC1CCCCC1.
What is the InChIKey of 13-cyclohexyltridecanal?
The InChIKey is NOGCUZQUVGMKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c20-18-14-9-7-5-3-1-2-4-6-8-11-15-19-16-12-10-13-17-19/h18-19H,1-17H2.
What are the key properties of 13-cyclohexyltridecanal?
13-cyclohexyltridecanal has a molecular weight of 280.50 g/mol, XLogP of 6.45, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyltridecanal is sourced from PubChem (CID 173254784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).