3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde

C15H26O — CID 88851773

IUPAC3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde
SMILESCC1CCC(C2CCCC(C=O)C2)C(C)C1
InChIInChI=1S/C15H26O/c1-11-6-7-15(12(2)8-11)14-5-3-4-13(9-14)10-16/h10-15H,3-9H2,1-2H3
InChIKeySYXRMCJUBYFKSA-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.06
Rot. Bonds2

About 3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde

3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde (PubChem CID 88851773) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde
PubChem CID88851773
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde
SMILESCC1CCC(C2CCCC(C=O)C2)C(C)C1
InChIInChI=1S/C15H26O/c1-11-6-7-15(12(2)8-11)14-5-3-4-13(9-14)10-16/h10-15H,3-9H2,1-2H3
InChIKeySYXRMCJUBYFKSA-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.06
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

(1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751812
(1S,4aS,6S,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751793
(2,4-dimethylcyclohexyl)cyclononane
CID 163705330
(3R,8S,9R,10S,13S,14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-3-carbaldehyde
CID 91117420
(3S)-3-methylcyclopentane-1-carbaldehyde
CID 59953230
cyclohexane-1,3-dicarbaldehyde
CID 23496622
isocyanic acid;3-methylcyclohexane-1-carbaldehyde
CID 174560821
(1S,3R,4aR,8aS)-1,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751792
1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane
CID 58552269
3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 20683773
(1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane
CID 162245394
(2S)-2-methylbicyclo[2.2.0]hexane
CID 174068638

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde (CID 88851773) is 3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde is CC1CCC(C2CCCC(C=O)C2)C(C)C1.
What is the InChIKey of 3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde?
The InChIKey is SYXRMCJUBYFKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11-6-7-15(12(2)8-11)14-5-3-4-13(9-14)10-16/h10-15H,3-9H2,1-2H3.
What are the key properties of 3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde?
3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde has a molecular weight of 222.37 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 88851773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).