(3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol

C15H28O5 — CID 58059609

IUPAC(3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol
SMILESC=CCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C
InChIInChI=1S/C15H28O5/c1-3-4-5-6-7-8-9-19-15-11(2)13(17)14(18)12(10-16)20-15/h3,11-18H,1,4-10H2,2H3/t11?,12?,13-,14+,15-/m1/s1
InChIKeySZKDBEWKTJNQKW-IPOFZDNWSA-N
MW288.38 g/mol
LogP1.21
Rot. Bonds9

About (3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol

(3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol (PubChem CID 58059609) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is (3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol.

Molecular Properties

Compound Name(3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol
PubChem CID58059609
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name(3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol
SMILESC=CCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C
InChIInChI=1S/C15H28O5/c1-3-4-5-6-7-8-9-19-15-11(2)13(17)14(18)12(10-16)20-15/h3,11-18H,1,4-10H2,2H3/t11?,12?,13-,14+,15-/m1/s1
InChIKeySZKDBEWKTJNQKW-IPOFZDNWSA-N
XLogP1.21
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-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 (3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol?
The IUPAC name of (3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol (CID 58059609) is (3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol.
What is the SMILES notation for (3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol?
The canonical SMILES for (3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol is C=CCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C.
What is the InChIKey of (3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol?
The InChIKey is SZKDBEWKTJNQKW-IPOFZDNWSA-N. The full InChI is InChI=1S/C15H28O5/c1-3-4-5-6-7-8-9-19-15-11(2)13(17)14(18)12(10-16)20-15/h3,11-18H,1,4-10H2,2H3/t11?,12?,13-,14+,15-/m1/s1.
What are the key properties of (3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol?
(3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol has a molecular weight of 288.38 g/mol, XLogP of 1.21, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol is sourced from PubChem (CID 58059609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).