(2S,3R)-3,7-dimethyloct-6-ene-1,2-diol

C10H20O2 — CID 10241264

IUPAC(2S,3R)-3,7-dimethyloct-6-ene-1,2-diol
SMILESCC(C)=CCC[C@@H](C)[C@H](O)CO
InChIInChI=1S/C10H20O2/c1-8(2)5-4-6-9(3)10(12)7-11/h5,9-12H,4,6-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyYQXHFURSJJKJQK-NXEZZACHSA-N
MW172.27 g/mol
LogP1.72
Rot. Bonds5

About (2S,3R)-3,7-dimethyloct-6-ene-1,2-diol

(2S,3R)-3,7-dimethyloct-6-ene-1,2-diol (PubChem CID 10241264) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S,3R)-3,7-dimethyloct-6-ene-1,2-diol.

Molecular Properties

Compound Name(2S,3R)-3,7-dimethyloct-6-ene-1,2-diol
PubChem CID10241264
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2S,3R)-3,7-dimethyloct-6-ene-1,2-diol
SMILESCC(C)=CCC[C@@H](C)[C@H](O)CO
InChIInChI=1S/C10H20O2/c1-8(2)5-4-6-9(3)10(12)7-11/h5,9-12H,4,6-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyYQXHFURSJJKJQK-NXEZZACHSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3R)-3,7-dimethyloct-6-ene-1,2-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 (2S,3R)-3,7-dimethyloct-6-ene-1,2-diol?
The IUPAC name of (2S,3R)-3,7-dimethyloct-6-ene-1,2-diol (CID 10241264) is (2S,3R)-3,7-dimethyloct-6-ene-1,2-diol.
What is the SMILES notation for (2S,3R)-3,7-dimethyloct-6-ene-1,2-diol?
The canonical SMILES for (2S,3R)-3,7-dimethyloct-6-ene-1,2-diol is CC(C)=CCC[C@@H](C)[C@H](O)CO.
What is the InChIKey of (2S,3R)-3,7-dimethyloct-6-ene-1,2-diol?
The InChIKey is YQXHFURSJJKJQK-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)5-4-6-9(3)10(12)7-11/h5,9-12H,4,6-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (2S,3R)-3,7-dimethyloct-6-ene-1,2-diol?
(2S,3R)-3,7-dimethyloct-6-ene-1,2-diol has a molecular weight of 172.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3,7-dimethyloct-6-ene-1,2-diol is sourced from PubChem (CID 10241264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).