1-but-3-enyl-2,2-dimethylcyclopentane-1,3-diol

C11H20O2 — CID 24749874

IUPAC1-but-3-enyl-2,2-dimethylcyclopentane-1,3-diol
SMILESC=CCCC1(O)CCC(O)C1(C)C
InChIInChI=1S/C11H20O2/c1-4-5-7-11(13)8-6-9(12)10(11,2)3/h4,9,12-13H,1,5-8H2,2-3H3
InChIKeyDIMKPSWKPKOTLK-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.86
Rot. Bonds3

About 1-but-3-enyl-2,2-dimethylcyclopentane-1,3-diol

1-but-3-enyl-2,2-dimethylcyclopentane-1,3-diol (PubChem CID 24749874) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-but-3-enyl-2,2-dimethylcyclopentane-1,3-diol.

Molecular Properties

Compound Name1-but-3-enyl-2,2-dimethylcyclopentane-1,3-diol
PubChem CID24749874
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-but-3-enyl-2,2-dimethylcyclopentane-1,3-diol
SMILESC=CCCC1(O)CCC(O)C1(C)C
InChIInChI=1S/C11H20O2/c1-4-5-7-11(13)8-6-9(12)10(11,2)3/h4,9,12-13H,1,5-8H2,2-3H3
InChIKeyDIMKPSWKPKOTLK-UHFFFAOYSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-2,2-dimethylcyclopentane-1,3-diol?
The IUPAC name of 1-but-3-enyl-2,2-dimethylcyclopentane-1,3-diol (CID 24749874) is 1-but-3-enyl-2,2-dimethylcyclopentane-1,3-diol.
What is the SMILES notation for 1-but-3-enyl-2,2-dimethylcyclopentane-1,3-diol?
The canonical SMILES for 1-but-3-enyl-2,2-dimethylcyclopentane-1,3-diol is C=CCCC1(O)CCC(O)C1(C)C.
What is the InChIKey of 1-but-3-enyl-2,2-dimethylcyclopentane-1,3-diol?
The InChIKey is DIMKPSWKPKOTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-7-11(13)8-6-9(12)10(11,2)3/h4,9,12-13H,1,5-8H2,2-3H3.
What are the key properties of 1-but-3-enyl-2,2-dimethylcyclopentane-1,3-diol?
1-but-3-enyl-2,2-dimethylcyclopentane-1,3-diol has a molecular weight of 184.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2,2-dimethylcyclopentane-1,3-diol is sourced from PubChem (CID 24749874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).