2-(hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol

C15H26O3 — CID 22364526

IUPAC2-(hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol
SMILESC=CCCC(CC=C)(CC=C)C(CO)(CO)CO
InChIInChI=1S/C15H26O3/c1-4-7-10-14(8-5-2,9-6-3)15(11-16,12-17)13-18/h4-6,16-18H,1-3,7-13H2
InChIKeyHOVSVXAQHKIKMR-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.05
Rot. Bonds11

About 2-(hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol

2-(hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol (PubChem CID 22364526) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol
PubChem CID22364526
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name2-(hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol
SMILESC=CCCC(CC=C)(CC=C)C(CO)(CO)CO
InChIInChI=1S/C15H26O3/c1-4-7-10-14(8-5-2,9-6-3)15(11-16,12-17)13-18/h4-6,16-18H,1-3,7-13H2
InChIKeyHOVSVXAQHKIKMR-UHFFFAOYSA-N
XLogP2.05
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol 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 2-(hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol (CID 22364526) is 2-(hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol is C=CCCC(CC=C)(CC=C)C(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol?
The InChIKey is HOVSVXAQHKIKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-4-7-10-14(8-5-2,9-6-3)15(11-16,12-17)13-18/h4-6,16-18H,1-3,7-13H2.
What are the key properties of 2-(hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol?
2-(hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol has a molecular weight of 254.37 g/mol, XLogP of 2.05, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol is sourced from PubChem (CID 22364526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).