1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde

C10H18O2 — CID 130035277

IUPAC1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde
SMILESCC(C)C1CCC(O)(C=O)CC1
InChIInChI=1S/C10H18O2/c1-8(2)9-3-5-10(12,7-11)6-4-9/h7-9,12H,3-6H2,1-2H3
InChIKeyGXGMYLIIGMBPOJ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.76
Rot. Bonds2

About 1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde

1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde (PubChem CID 130035277) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde
PubChem CID130035277
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde
SMILESCC(C)C1CCC(O)(C=O)CC1
InChIInChI=1S/C10H18O2/c1-8(2)9-3-5-10(12,7-11)6-4-9/h7-9,12H,3-6H2,1-2H3
InChIKeyGXGMYLIIGMBPOJ-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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

1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
CID 141162449
N-(1-methyl-4-propan-2-ylcyclohexyl)acetamide
CID 146393556
sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate
CID 140986186
3-(1-methyl-4-propan-2-ylcyclohexyl)propanal
CID 87383202
1-(1-hydroxy-4-propan-2-ylcyclohexyl)cyclobutane-1-carbonitrile
CID 79129220
1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
CID 79444321
CID 174102089
CID 174102089
1-[(2-methylpropylamino)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62773562
trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol
CID 54292427
(1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 127916022
1-bromo-1-methyl-4-propan-2-ylcyclohexane
CID 90475813
[2-hydroxy-3-(1-methyl-4-propan-2-ylcyclohexyl)oxypropyl] formate
CID 154200949

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde?
The IUPAC name of 1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde (CID 130035277) is 1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde?
The canonical SMILES for 1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde is CC(C)C1CCC(O)(C=O)CC1.
What is the InChIKey of 1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde?
The InChIKey is GXGMYLIIGMBPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)9-3-5-10(12,7-11)6-4-9/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde?
1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde has a molecular weight of 170.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 130035277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).