3-hydroxy-5-propan-2-ylcyclohexane-1-carbaldehyde

C10H18O2 — CID 174746123

IUPAC3-hydroxy-5-propan-2-ylcyclohexane-1-carbaldehyde
SMILESCC(C)C1CC(O)CC(C=O)C1
InChIInChI=1S/C10H18O2/c1-7(2)9-3-8(6-11)4-10(12)5-9/h6-10,12H,3-5H2,1-2H3
InChIKeyPBWLBJRNNBOFQU-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.62
Rot. Bonds2

About 3-hydroxy-5-propan-2-ylcyclohexane-1-carbaldehyde

3-hydroxy-5-propan-2-ylcyclohexane-1-carbaldehyde (PubChem CID 174746123) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-hydroxy-5-propan-2-ylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-5-propan-2-ylcyclohexane-1-carbaldehyde
PubChem CID174746123
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-hydroxy-5-propan-2-ylcyclohexane-1-carbaldehyde
SMILESCC(C)C1CC(O)CC(C=O)C1
InChIInChI=1S/C10H18O2/c1-7(2)9-3-8(6-11)4-10(12)5-9/h6-10,12H,3-5H2,1-2H3
InChIKeyPBWLBJRNNBOFQU-UHFFFAOYSA-N
XLogP1.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.62
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

(1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol
CID 6581896
4-propan-2-ylcyclopentane-1,2-diol
CID 20608687
1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclobutan-1-ol
CID 158535526
4-propan-2-ylcyclohexan-1-ol
CID 159817143
3-(3-propan-2-ylazetidin-1-yl)cyclobutan-1-ol
CID 104550257
trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol
CID 6431599
3-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carbaldehyde
CID 88986054
4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane
CID 156686010
3-hydroxycyclohexane-1-carbaldehyde;N-methylthiohydroxylamine
CID 143734531
3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol
CID 103562049
6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde;2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)propanoic acid
CID 160638769
4-propan-2-ylpyrrolidine-2-carbaldehyde
CID 163379757

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-propan-2-ylcyclohexane-1-carbaldehyde?
The IUPAC name of 3-hydroxy-5-propan-2-ylcyclohexane-1-carbaldehyde (CID 174746123) is 3-hydroxy-5-propan-2-ylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 3-hydroxy-5-propan-2-ylcyclohexane-1-carbaldehyde?
The canonical SMILES for 3-hydroxy-5-propan-2-ylcyclohexane-1-carbaldehyde is CC(C)C1CC(O)CC(C=O)C1.
What is the InChIKey of 3-hydroxy-5-propan-2-ylcyclohexane-1-carbaldehyde?
The InChIKey is PBWLBJRNNBOFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)9-3-8(6-11)4-10(12)5-9/h6-10,12H,3-5H2,1-2H3.
What are the key properties of 3-hydroxy-5-propan-2-ylcyclohexane-1-carbaldehyde?
3-hydroxy-5-propan-2-ylcyclohexane-1-carbaldehyde has a molecular weight of 170.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-propan-2-ylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 174746123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).