(3S)-3-methylcyclopentane-1-carbaldehyde

C7H12O — CID 59953230

IUPAC(3S)-3-methylcyclopentane-1-carbaldehyde
SMILESC[C@H]1CCC(C=O)C1
InChIInChI=1S/C7H12O/c1-6-2-3-7(4-6)5-8/h5-7H,2-4H2,1H3/t6-,7?/m0/s1
InChIKeyCFABTXHHYMKPEQ-PKPIPKONSA-N
MW112.17 g/mol
LogP1.62
Rot. Bonds1

About (3S)-3-methylcyclopentane-1-carbaldehyde

(3S)-3-methylcyclopentane-1-carbaldehyde (PubChem CID 59953230) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (3S)-3-methylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name(3S)-3-methylcyclopentane-1-carbaldehyde
PubChem CID59953230
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(3S)-3-methylcyclopentane-1-carbaldehyde
SMILESC[C@H]1CCC(C=O)C1
InChIInChI=1S/C7H12O/c1-6-2-3-7(4-6)5-8/h5-7H,2-4H2,1H3/t6-,7?/m0/s1
InChIKeyCFABTXHHYMKPEQ-PKPIPKONSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-3-methylcyclopentane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one
CID 142033717
4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carbaldehyde
CID 154525010
isocyanic acid;3-methylcyclohexane-1-carbaldehyde
CID 174560821
4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 88960002
3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde
CID 88851773
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
cyclohexane-1,3-dicarbaldehyde
CID 23496622
(1S)-3-tert-butylcyclopentane-1-carbaldehyde
CID 176741692
trans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde
CID 57088024
4-[6-(2,4-dimethylcyclohexyl)hexyl]cyclohexane-1-carbaldehyde
CID 88959788
sodium;boranuide;cyclopropanecarbaldehyde
CID 174059838

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylcyclopentane-1-carbaldehyde?
The IUPAC name of (3S)-3-methylcyclopentane-1-carbaldehyde (CID 59953230) is (3S)-3-methylcyclopentane-1-carbaldehyde.
What is the SMILES notation for (3S)-3-methylcyclopentane-1-carbaldehyde?
The canonical SMILES for (3S)-3-methylcyclopentane-1-carbaldehyde is C[C@H]1CCC(C=O)C1.
What is the InChIKey of (3S)-3-methylcyclopentane-1-carbaldehyde?
The InChIKey is CFABTXHHYMKPEQ-PKPIPKONSA-N. The full InChI is InChI=1S/C7H12O/c1-6-2-3-7(4-6)5-8/h5-7H,2-4H2,1H3/t6-,7?/m0/s1.
What are the key properties of (3S)-3-methylcyclopentane-1-carbaldehyde?
(3S)-3-methylcyclopentane-1-carbaldehyde has a molecular weight of 112.17 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 59953230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).