(2S)-4-methylidene-1-[(2R)-oxiran-2-yl]oct-7-en-2-ol

C11H18O2 — CID 10631291

IUPAC(2S)-4-methylidene-1-[(2R)-oxiran-2-yl]oct-7-en-2-ol
SMILESC=CCCC(=C)C[C@H](O)C[C@@H]1CO1
InChIInChI=1S/C11H18O2/c1-3-4-5-9(2)6-10(12)7-11-8-13-11/h3,10-12H,1-2,4-8H2/t10-,11+/m0/s1
InChIKeyRTPCIYFETZXUDC-WDEREUQCSA-N
MW182.26 g/mol
LogP2.05
Rot. Bonds7

About (2S)-4-methylidene-1-[(2R)-oxiran-2-yl]oct-7-en-2-ol

(2S)-4-methylidene-1-[(2R)-oxiran-2-yl]oct-7-en-2-ol (PubChem CID 10631291) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2S)-4-methylidene-1-[(2R)-oxiran-2-yl]oct-7-en-2-ol.

Molecular Properties

Compound Name(2S)-4-methylidene-1-[(2R)-oxiran-2-yl]oct-7-en-2-ol
PubChem CID10631291
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2S)-4-methylidene-1-[(2R)-oxiran-2-yl]oct-7-en-2-ol
SMILESC=CCCC(=C)C[C@H](O)C[C@@H]1CO1
InChIInChI=1S/C11H18O2/c1-3-4-5-9(2)6-10(12)7-11-8-13-11/h3,10-12H,1-2,4-8H2/t10-,11+/m0/s1
InChIKeyRTPCIYFETZXUDC-WDEREUQCSA-N
XLogP2.05
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.05
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 (2S)-4-methylidene-1-[(2R)-oxiran-2-yl]oct-7-en-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 (2S)-4-methylidene-1-[(2R)-oxiran-2-yl]oct-7-en-2-ol?
The IUPAC name of (2S)-4-methylidene-1-[(2R)-oxiran-2-yl]oct-7-en-2-ol (CID 10631291) is (2S)-4-methylidene-1-[(2R)-oxiran-2-yl]oct-7-en-2-ol.
What is the SMILES notation for (2S)-4-methylidene-1-[(2R)-oxiran-2-yl]oct-7-en-2-ol?
The canonical SMILES for (2S)-4-methylidene-1-[(2R)-oxiran-2-yl]oct-7-en-2-ol is C=CCCC(=C)C[C@H](O)C[C@@H]1CO1.
What is the InChIKey of (2S)-4-methylidene-1-[(2R)-oxiran-2-yl]oct-7-en-2-ol?
The InChIKey is RTPCIYFETZXUDC-WDEREUQCSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-5-9(2)6-10(12)7-11-8-13-11/h3,10-12H,1-2,4-8H2/t10-,11+/m0/s1.
What are the key properties of (2S)-4-methylidene-1-[(2R)-oxiran-2-yl]oct-7-en-2-ol?
(2S)-4-methylidene-1-[(2R)-oxiran-2-yl]oct-7-en-2-ol has a molecular weight of 182.26 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methylidene-1-[(2R)-oxiran-2-yl]oct-7-en-2-ol is sourced from PubChem (CID 10631291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).