3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-ol

C11H20O2 — CID 75094173

IUPAC3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-ol
SMILESC=CC1(C)CCC(C(C)C(C)O)O1
InChIInChI=1S/C11H20O2/c1-5-11(4)7-6-10(13-11)8(2)9(3)12/h5,8-10,12H,1,6-7H2,2-4H3
InChIKeyDTMNLTMKMOJMPJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds3

About 3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-ol

3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-ol (PubChem CID 75094173) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-ol
PubChem CID75094173
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-ol
SMILESC=CC1(C)CCC(C(C)C(C)O)O1
InChIInChI=1S/C11H20O2/c1-5-11(4)7-6-10(13-11)8(2)9(3)12/h5,8-10,12H,1,6-7H2,2-4H3
InChIKeyDTMNLTMKMOJMPJ-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-ol?
The IUPAC name of 3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-ol (CID 75094173) is 3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-ol.
What is the SMILES notation for 3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-ol?
The canonical SMILES for 3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-ol is C=CC1(C)CCC(C(C)C(C)O)O1.
What is the InChIKey of 3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-ol?
The InChIKey is DTMNLTMKMOJMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-11(4)7-6-10(13-11)8(2)9(3)12/h5,8-10,12H,1,6-7H2,2-4H3.
What are the key properties of 3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-ol?
3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-ol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-ol is sourced from PubChem (CID 75094173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).