1-(1-hydroxypropan-2-yl)-2-methylcyclohexane-1-carbaldehyde

C11H20O2 — CID 131068991

IUPAC1-(1-hydroxypropan-2-yl)-2-methylcyclohexane-1-carbaldehyde
SMILESCC(CO)C1(C=O)CCCCC1C
InChIInChI=1S/C11H20O2/c1-9-5-3-4-6-11(9,8-13)10(2)7-12/h8-10,12H,3-7H2,1-2H3
InChIKeyQOHYJDQVEXCMST-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.01
Rot. Bonds3

About 1-(1-hydroxypropan-2-yl)-2-methylcyclohexane-1-carbaldehyde

1-(1-hydroxypropan-2-yl)-2-methylcyclohexane-1-carbaldehyde (PubChem CID 131068991) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-2-methylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-2-methylcyclohexane-1-carbaldehyde
PubChem CID131068991
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(1-hydroxypropan-2-yl)-2-methylcyclohexane-1-carbaldehyde
SMILESCC(CO)C1(C=O)CCCCC1C
InChIInChI=1S/C11H20O2/c1-9-5-3-4-6-11(9,8-13)10(2)7-12/h8-10,12H,3-7H2,1-2H3
InChIKeyQOHYJDQVEXCMST-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde
CID 131195965
2-methyl-1-propoxycyclohexane-1-carbaldehyde
CID 165494983
trans-(1S,2S)-2-methyl-1-(2-oxopropyl)cyclohexane-1-carbaldehyde
CID 130753828
1,2-dimethylcycloundecane-1-carbaldehyde
CID 138734446
1-but-3-en-2-yl-2-methylcyclohexane-1-carboxylic acid
CID 131181795
1-methoxy-2-methylcyclohexane-1-carbaldehyde
CID 130743446
2-methyl-1-propan-2-ylcyclohexan-1-ol
CID 19833595
4-[4-hydroxy-3-(hydroxymethyl)butan-2-yl]-1-methylcyclohexane-1-carbaldehyde
CID 121460765
(9R)-9-methylspiro[3.5]nonane
CID 140885739
1-[(E)-3-chloroprop-2-enyl]-2-methylcyclohexane-1-carbaldehyde
CID 131237182
(2R)-2-[(1S,2R)-1,2-dimethylcyclononyl]propane-1-thiol
CID 174108762
1,1-difluoro-2-methylcyclohexane
CID 15044189

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-2-methylcyclohexane-1-carbaldehyde?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-2-methylcyclohexane-1-carbaldehyde (CID 131068991) is 1-(1-hydroxypropan-2-yl)-2-methylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-2-methylcyclohexane-1-carbaldehyde?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-2-methylcyclohexane-1-carbaldehyde is CC(CO)C1(C=O)CCCCC1C.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-2-methylcyclohexane-1-carbaldehyde?
The InChIKey is QOHYJDQVEXCMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9-5-3-4-6-11(9,8-13)10(2)7-12/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 1-(1-hydroxypropan-2-yl)-2-methylcyclohexane-1-carbaldehyde?
1-(1-hydroxypropan-2-yl)-2-methylcyclohexane-1-carbaldehyde has a molecular weight of 184.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-2-methylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 131068991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).