3-propylcyclobutane-1,1-diol

C7H14O2 — CID 18328679

IUPAC3-propylcyclobutane-1,1-diol
SMILESCCCC1CC(O)(O)C1
InChIInChI=1S/C7H14O2/c1-2-3-6-4-7(8,9)5-6/h6,8-9H,2-5H2,1H3
InChIKeyKIVDBYYUAULNJL-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.88
Rot. Bonds2

About 3-propylcyclobutane-1,1-diol

3-propylcyclobutane-1,1-diol (PubChem CID 18328679) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-propylcyclobutane-1,1-diol.

Molecular Properties

Compound Name3-propylcyclobutane-1,1-diol
PubChem CID18328679
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name3-propylcyclobutane-1,1-diol
SMILESCCCC1CC(O)(O)C1
InChIInChI=1S/C7H14O2/c1-2-3-6-4-7(8,9)5-6/h6,8-9H,2-5H2,1H3
InChIKeyKIVDBYYUAULNJL-UHFFFAOYSA-N
XLogP0.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-propylcyclobutane-1,1-diol 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

1,1-dimethyl-3-propylcyclobutane
CID 19073360
1-methyl-1-propan-2-yl-3-propylcyclobutane
CID 91462890
cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane
CID 143682389
(1-phosphono-3-propylcyclobutyl)phosphonic acid
CID 19821558
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
1,1-bis(methoxymethyl)-3-propylcyclobutane
CID 141062334
1-cyano-3-propylcyclobutane-1-carboxylic acid
CID 65014143
1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol
CID 64730670
(7R)-7-methyl-2-propylspiro[3.4]octane
CID 167622159
1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol
CID 18364504
4-propyl-4,5-dihydro-3H-pyrazole
CID 123289792
ethane;propane;propylcyclopropane
CID 145406182

Frequently Asked Questions

What is the IUPAC name of 3-propylcyclobutane-1,1-diol?
The IUPAC name of 3-propylcyclobutane-1,1-diol (CID 18328679) is 3-propylcyclobutane-1,1-diol.
What is the SMILES notation for 3-propylcyclobutane-1,1-diol?
The canonical SMILES for 3-propylcyclobutane-1,1-diol is CCCC1CC(O)(O)C1.
What is the InChIKey of 3-propylcyclobutane-1,1-diol?
The InChIKey is KIVDBYYUAULNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-2-3-6-4-7(8,9)5-6/h6,8-9H,2-5H2,1H3.
What are the key properties of 3-propylcyclobutane-1,1-diol?
3-propylcyclobutane-1,1-diol has a molecular weight of 130.19 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylcyclobutane-1,1-diol is sourced from PubChem (CID 18328679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).