4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde

C17H30O — CID 174896798

IUPAC4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde
SMILESCCCCC1(C2CCC(C=O)CC2)CCCCC1
InChIInChI=1S/C17H30O/c1-2-3-11-17(12-5-4-6-13-17)16-9-7-15(14-18)8-10-16/h14-16H,2-13H2,1H3
InChIKeyYUPGVVAAVOIORY-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.13
Rot. Bonds5

About 4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde

4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde (PubChem CID 174896798) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde
PubChem CID174896798
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde
SMILESCCCCC1(C2CCC(C=O)CC2)CCCCC1
InChIInChI=1S/C17H30O/c1-2-3-11-17(12-5-4-6-13-17)16-9-7-15(14-18)8-10-16/h14-16H,2-13H2,1H3
InChIKeyYUPGVVAAVOIORY-UHFFFAOYSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-1-(4-ethenylcyclohexyl)cyclohexane
CID 162340884
1-butyl-1-cycloheptylcycloheptane
CID 140610618
1-cyclopropyl-1-pentylcyclopropane
CID 173187185
1-butyl-1-cyclohexyl-4-methylcyclohexane
CID 139676896
4-butyl-4-cyclohexylcyclohexane-1-carbonitrile
CID 143135178
1-(4-butyl-4-cyclohexyl-1-heptylcyclohexyl)cyclohexane-1-carboxylic acid
CID 18607516
1-cyclohexyl-1-(3-methoxypropyl)cyclohexane
CID 142637156
4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 20633982
(1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane
CID 90760848
4-chloro-1-cyclohexyl-1-propylcyclohexane
CID 66776581
1-ethyl-1-(4-propylcyclohexyl)cyclohexane
CID 57009275
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670

Frequently Asked Questions

What is the IUPAC name of 4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde (CID 174896798) is 4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde is CCCCC1(C2CCC(C=O)CC2)CCCCC1.
What is the InChIKey of 4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde?
The InChIKey is YUPGVVAAVOIORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-2-3-11-17(12-5-4-6-13-17)16-9-7-15(14-18)8-10-16/h14-16H,2-13H2,1H3.
What are the key properties of 4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde?
4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde has a molecular weight of 250.43 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 174896798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).