2,2-dimethylcyclohexane-1-carbaldehyde

C9H16O — CID 13493680

IUPAC2,2-dimethylcyclohexane-1-carbaldehyde
SMILESCC1(C)CCCCC1C=O
InChIInChI=1S/C9H16O/c1-9(2)6-4-3-5-8(9)7-10/h7-8H,3-6H2,1-2H3
InChIKeyPRMCTXHFPWJOSP-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.40
Rot. Bonds1

About 2,2-dimethylcyclohexane-1-carbaldehyde

2,2-dimethylcyclohexane-1-carbaldehyde (PubChem CID 13493680) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,2-dimethylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2,2-dimethylcyclohexane-1-carbaldehyde
PubChem CID13493680
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2,2-dimethylcyclohexane-1-carbaldehyde
SMILESCC1(C)CCCCC1C=O
InChIInChI=1S/C9H16O/c1-9(2)6-4-3-5-8(9)7-10/h7-8H,3-6H2,1-2H3
InChIKeyPRMCTXHFPWJOSP-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylcyclohexane-1-carbaldehyde?
The IUPAC name of 2,2-dimethylcyclohexane-1-carbaldehyde (CID 13493680) is 2,2-dimethylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 2,2-dimethylcyclohexane-1-carbaldehyde?
The canonical SMILES for 2,2-dimethylcyclohexane-1-carbaldehyde is CC1(C)CCCCC1C=O.
What is the InChIKey of 2,2-dimethylcyclohexane-1-carbaldehyde?
The InChIKey is PRMCTXHFPWJOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2)6-4-3-5-8(9)7-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,2-dimethylcyclohexane-1-carbaldehyde?
2,2-dimethylcyclohexane-1-carbaldehyde has a molecular weight of 140.23 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 13493680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).