1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde

C11H20O2 — CID 130630803

IUPAC1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde
SMILESCC(O)CC1(C=O)CCC(C)CC1
InChIInChI=1S/C11H20O2/c1-9-3-5-11(8-12,6-4-9)7-10(2)13/h8-10,13H,3-7H2,1-2H3
InChIKeyGJEJGNISCMJXDG-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.15
Rot. Bonds3

About 1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde

1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde (PubChem CID 130630803) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde
PubChem CID130630803
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde
SMILESCC(O)CC1(C=O)CCC(C)CC1
InChIInChI=1S/C11H20O2/c1-9-3-5-11(8-12,6-4-9)7-10(2)13/h8-10,13H,3-7H2,1-2H3
InChIKeyGJEJGNISCMJXDG-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde?
The IUPAC name of 1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde (CID 130630803) is 1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde?
The canonical SMILES for 1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde is CC(O)CC1(C=O)CCC(C)CC1.
What is the InChIKey of 1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde?
The InChIKey is GJEJGNISCMJXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9-3-5-11(8-12,6-4-9)7-10(2)13/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde?
1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde has a molecular weight of 184.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 130630803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).