1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde

C9H16O2 — CID 131143277

IUPAC1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde
SMILESCC1CCC(C=O)(CCO)C1
InChIInChI=1S/C9H16O2/c1-8-2-3-9(6-8,7-11)4-5-10/h7-8,10H,2-6H2,1H3
InChIKeyOQYMFGGNWNMPQR-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.37
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde

1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde (PubChem CID 131143277) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde
PubChem CID131143277
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde
SMILESCC1CCC(C=O)(CCO)C1
InChIInChI=1S/C9H16O2/c1-8-2-3-9(6-8,7-11)4-5-10/h7-8,10H,2-6H2,1H3
InChIKeyOQYMFGGNWNMPQR-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.37
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-(2-hydroxyethyl)cyclopropane-1-carbaldehyde
CID 130698977
1-(2-chloroethyl)-3-methylcyclohexane-1-carbaldehyde
CID 130704241
1-but-2-ynyl-3-methylcyclopentane-1-carbaldehyde
CID 130672813
1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde
CID 130630803
4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde
CID 130743601
3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde
CID 130646206
1-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-4-methylcyclohexane-1-carbaldehyde
CID 104554521
3-methyl-1-(2,2,2-trifluoroethyl)cyclohexane-1-carbaldehyde
CID 131142601
2-[(3R)-1-(2-hydroxyethyl)-3-methylcyclohexyl]ethanol
CID 168973967
1-cyclopropyl-3-methylcyclopentane-1-carbaldehyde
CID 130680477
1,3-diethylcyclopentane-1-carbaldehyde
CID 126998053
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexane-1-carbaldehyde
CID 113336149

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde?
The IUPAC name of 1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde (CID 131143277) is 1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde?
The canonical SMILES for 1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde is CC1CCC(C=O)(CCO)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde?
The InChIKey is OQYMFGGNWNMPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8-2-3-9(6-8,7-11)4-5-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde?
1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde has a molecular weight of 156.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 131143277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).