3-[(2S)-4-methylideneoxolan-2-yl]propan-1-ol

C8H14O2 — CID 89182223

IUPAC3-[(2S)-4-methylideneoxolan-2-yl]propan-1-ol
SMILESC=C1CO[C@@H](CCCO)C1
InChIInChI=1S/C8H14O2/c1-7-5-8(10-6-7)3-2-4-9/h8-9H,1-6H2/t8-/m0/s1
InChIKeyJTKYZMKCIAVQBM-QMMMGPOBSA-N
MW142.20 g/mol
LogP1.10
Rot. Bonds3

About 3-[(2S)-4-methylideneoxolan-2-yl]propan-1-ol

3-[(2S)-4-methylideneoxolan-2-yl]propan-1-ol (PubChem CID 89182223) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-[(2S)-4-methylideneoxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S)-4-methylideneoxolan-2-yl]propan-1-ol
PubChem CID89182223
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-[(2S)-4-methylideneoxolan-2-yl]propan-1-ol
SMILESC=C1CO[C@@H](CCCO)C1
InChIInChI=1S/C8H14O2/c1-7-5-8(10-6-7)3-2-4-9/h8-9H,1-6H2/t8-/m0/s1
InChIKeyJTKYZMKCIAVQBM-QMMMGPOBSA-N
XLogP1.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(2S)-4-methylideneoxolan-2-yl]propan-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 3-[(2S)-4-methylideneoxolan-2-yl]propan-1-ol?
The IUPAC name of 3-[(2S)-4-methylideneoxolan-2-yl]propan-1-ol (CID 89182223) is 3-[(2S)-4-methylideneoxolan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S)-4-methylideneoxolan-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2S)-4-methylideneoxolan-2-yl]propan-1-ol is C=C1CO[C@@H](CCCO)C1.
What is the InChIKey of 3-[(2S)-4-methylideneoxolan-2-yl]propan-1-ol?
The InChIKey is JTKYZMKCIAVQBM-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O2/c1-7-5-8(10-6-7)3-2-4-9/h8-9H,1-6H2/t8-/m0/s1.
What are the key properties of 3-[(2S)-4-methylideneoxolan-2-yl]propan-1-ol?
3-[(2S)-4-methylideneoxolan-2-yl]propan-1-ol has a molecular weight of 142.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4-methylideneoxolan-2-yl]propan-1-ol is sourced from PubChem (CID 89182223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).