1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-ol

C11H20O2 — CID 91602244

IUPAC1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-ol
SMILESCC(C)(C)C=CC(O)C1OC1(C)C
InChIInChI=1S/C11H20O2/c1-10(2,3)7-6-8(12)9-11(4,5)13-9/h6-9,12H,1-5H3
InChIKeyZQAUSFAYHMZIFR-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds2

About 1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-ol

1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-ol (PubChem CID 91602244) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-ol.

Molecular Properties

Compound Name1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-ol
PubChem CID91602244
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-ol
SMILESCC(C)(C)C=CC(O)C1OC1(C)C
InChIInChI=1S/C11H20O2/c1-10(2,3)7-6-8(12)9-11(4,5)13-9/h6-9,12H,1-5H3
InChIKeyZQAUSFAYHMZIFR-UHFFFAOYSA-N
XLogP2.13
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-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 1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-ol?
The IUPAC name of 1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-ol (CID 91602244) is 1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-ol.
What is the SMILES notation for 1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-ol?
The canonical SMILES for 1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-ol is CC(C)(C)C=CC(O)C1OC1(C)C.
What is the InChIKey of 1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-ol?
The InChIKey is ZQAUSFAYHMZIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2,3)7-6-8(12)9-11(4,5)13-9/h6-9,12H,1-5H3.
What are the key properties of 1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-ol?
1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyloxiran-2-yl)-4,4-dimethylpent-2-en-1-ol is sourced from PubChem (CID 91602244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).