3,3-dimethoxypropylcyclopentane

C10H20O2 — CID 58449962

IUPAC3,3-dimethoxypropylcyclopentane
SMILESCOC(CCC1CCCC1)OC
InChIInChI=1S/C10H20O2/c1-11-10(12-2)8-7-9-5-3-4-6-9/h9-10H,3-8H2,1-2H3
InChIKeyFICVYYVKHOGVJM-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.58
Rot. Bonds5

About 3,3-dimethoxypropylcyclopentane

3,3-dimethoxypropylcyclopentane (PubChem CID 58449962) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3,3-dimethoxypropylcyclopentane.

Molecular Properties

Compound Name3,3-dimethoxypropylcyclopentane
PubChem CID58449962
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3,3-dimethoxypropylcyclopentane
SMILESCOC(CCC1CCCC1)OC
InChIInChI=1S/C10H20O2/c1-11-10(12-2)8-7-9-5-3-4-6-9/h9-10H,3-8H2,1-2H3
InChIKeyFICVYYVKHOGVJM-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,3-dimethoxypropylcyclopentane 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

N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine
CID 89099495
(3-bromo-4-methoxybutyl)cyclohexane
CID 62318370
4-cyclopentyl-1-methoxy-N-methylbutan-2-amine
CID 62320367
(4-cyclopentyl-2-methylbutyl)-dimethoxysilane
CID 123483492
(3-cyclopentyl-1-methoxypropyl) 4-butan-2-ylbenzoate
CID 145144219
3-[3-cyclohexyl-1-(3-hydroxypropoxy)propoxy]propan-1-ol
CID 102050115
methyl (2R)-2-amino-4-cyclohexylbutanoate
CID 150785903
N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine
CID 66222142
1-methoxypropoxymethylcyclohexane
CID 20748230
1-cyclopentyl-4-methylhexan-3-ol
CID 115823411
4-cyclopentyl-N-methylbutan-2-amine
CID 61343208
1,5-dicyclohexylpentan-3-ol
CID 56981010

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxypropylcyclopentane?
The IUPAC name of 3,3-dimethoxypropylcyclopentane (CID 58449962) is 3,3-dimethoxypropylcyclopentane.
What is the SMILES notation for 3,3-dimethoxypropylcyclopentane?
The canonical SMILES for 3,3-dimethoxypropylcyclopentane is COC(CCC1CCCC1)OC.
What is the InChIKey of 3,3-dimethoxypropylcyclopentane?
The InChIKey is FICVYYVKHOGVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-11-10(12-2)8-7-9-5-3-4-6-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 3,3-dimethoxypropylcyclopentane?
3,3-dimethoxypropylcyclopentane has a molecular weight of 172.27 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxypropylcyclopentane is sourced from PubChem (CID 58449962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).