cyclopentanecarbaldehyde;cyclopentylmethanol

C12H22O2 — CID 161180132

IUPACcyclopentanecarbaldehyde;cyclopentylmethanol
SMILESO=CC1CCCC1.OCC1CCCC1
InChIInChI=1S/C6H12O.C6H10O/c2*7-5-6-3-1-2-4-6/h6-7H,1-5H2;5-6H,1-4H2
InChIKeyUSIMOIJHISCXOC-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.54
Rot. Bonds2

About cyclopentanecarbaldehyde;cyclopentylmethanol

cyclopentanecarbaldehyde;cyclopentylmethanol (PubChem CID 161180132) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is cyclopentanecarbaldehyde;cyclopentylmethanol.

Molecular Properties

Compound Namecyclopentanecarbaldehyde;cyclopentylmethanol
PubChem CID161180132
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namecyclopentanecarbaldehyde;cyclopentylmethanol
SMILESO=CC1CCCC1.OCC1CCCC1
InChIInChI=1S/C6H12O.C6H10O/c2*7-5-6-3-1-2-4-6/h6-7H,1-5H2;5-6H,1-4H2
InChIKeyUSIMOIJHISCXOC-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclopentanecarbaldehyde;cyclopentylmethanol 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

4-(hydroxymethyl)cyclohexane-1-carbaldehyde
CID 523023
cyclotetradecylmethanol
CID 23468347
cyclodecanecarbaldehyde
CID 13240747
cyclooctane-1,4-dicarbaldehyde
CID 19884381
cyclopentadecane-1,5-dicarbaldehyde
CID 135390185
cyclohexylmethanol;sulfuric acid
CID 71362926
cyclohexanecarbaldehyde;ethane;methanol
CID 144911027
carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)
CID 91654218
oxane-3-carbaldehyde;oxan-3-ylmethanol
CID 159628302
cyclooctane-1,5-dicarbaldehyde
CID 18542113
cyclohexanecarbaldehyde;dihydroxydiazene
CID 173217705
cyclopropylmethanol;formic acid
CID 174831416

Frequently Asked Questions

What is the IUPAC name of cyclopentanecarbaldehyde;cyclopentylmethanol?
The IUPAC name of cyclopentanecarbaldehyde;cyclopentylmethanol (CID 161180132) is cyclopentanecarbaldehyde;cyclopentylmethanol.
What is the SMILES notation for cyclopentanecarbaldehyde;cyclopentylmethanol?
The canonical SMILES for cyclopentanecarbaldehyde;cyclopentylmethanol is O=CC1CCCC1.OCC1CCCC1.
What is the InChIKey of cyclopentanecarbaldehyde;cyclopentylmethanol?
The InChIKey is USIMOIJHISCXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C6H10O/c2*7-5-6-3-1-2-4-6/h6-7H,1-5H2;5-6H,1-4H2.
What are the key properties of cyclopentanecarbaldehyde;cyclopentylmethanol?
cyclopentanecarbaldehyde;cyclopentylmethanol has a molecular weight of 198.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanecarbaldehyde;cyclopentylmethanol is sourced from PubChem (CID 161180132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).