4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde

C15H26O — CID 88960002

IUPAC4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
SMILESCC1CCC(CC2CCC(C=O)CC2)CC1
InChIInChI=1S/C15H26O/c1-12-2-4-13(5-3-12)10-14-6-8-15(11-16)9-7-14/h11-15H,2-10H2,1H3
InChIKeyNCPAHTAFKOHUCE-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.21
Rot. Bonds3

About 4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde

4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde (PubChem CID 88960002) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
PubChem CID88960002
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
SMILESCC1CCC(CC2CCC(C=O)CC2)CC1
InChIInChI=1S/C15H26O/c1-12-2-4-13(5-3-12)10-14-6-8-15(11-16)9-7-14/h11-15H,2-10H2,1H3
InChIKeyNCPAHTAFKOHUCE-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.21
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

4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carbaldehyde
CID 154525010
4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 20633982
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 144859072
1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 138493538
ethane;4-ethylcyclohexane-1-carbaldehyde
CID 145257925
1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane
CID 142912938
2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid
CID 20710011
(3S)-3-methylcyclopentane-1-carbaldehyde
CID 59953230
1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 159873536

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde (CID 88960002) is 4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde is CC1CCC(CC2CCC(C=O)CC2)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde?
The InChIKey is NCPAHTAFKOHUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-12-2-4-13(5-3-12)10-14-6-8-15(11-16)9-7-14/h11-15H,2-10H2,1H3.
What are the key properties of 4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde?
4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde has a molecular weight of 222.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 88960002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).