2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol

C11H20O3 — CID 23007820

IUPAC2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol
SMILESC=CCC(O)(CC=C)C(C)(CO)CO
InChIInChI=1S/C11H20O3/c1-4-6-11(14,7-5-2)10(3,8-12)9-13/h4-5,12-14H,1-2,6-9H2,3H3
InChIKeyCSZXOBDEMUFGHS-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.86
Rot. Bonds7

About 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol

2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol (PubChem CID 23007820) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol
PubChem CID23007820
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol
SMILESC=CCC(O)(CC=C)C(C)(CO)CO
InChIInChI=1S/C11H20O3/c1-4-6-11(14,7-5-2)10(3,8-12)9-13/h4-5,12-14H,1-2,6-9H2,3H3
InChIKeyCSZXOBDEMUFGHS-UHFFFAOYSA-N
XLogP0.86
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-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-methyl-3-prop-2-enylhex-5-ene-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol (CID 23007820) is 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol is C=CCC(O)(CC=C)C(C)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol?
The InChIKey is CSZXOBDEMUFGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-6-11(14,7-5-2)10(3,8-12)9-13/h4-5,12-14H,1-2,6-9H2,3H3.
What are the key properties of 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol?
2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol has a molecular weight of 200.28 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol is sourced from PubChem (CID 23007820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).