(3R,6S)-2,6-dimethylocta-1,7-diene-3,6-diol

C10H18O2 — CID 154495976

IUPAC(3R,6S)-2,6-dimethylocta-1,7-diene-3,6-diol
SMILESC=C[C@@](C)(O)CC[C@@H](O)C(=C)C
InChIInChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h5,9,11-12H,1-2,6-7H2,3-4H3/t9-,10-/m1/s1
InChIKeyHZHJGFRDKJPQPV-NXEZZACHSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds5

About (3R,6S)-2,6-dimethylocta-1,7-diene-3,6-diol

(3R,6S)-2,6-dimethylocta-1,7-diene-3,6-diol (PubChem CID 154495976) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3R,6S)-2,6-dimethylocta-1,7-diene-3,6-diol.

Molecular Properties

Compound Name(3R,6S)-2,6-dimethylocta-1,7-diene-3,6-diol
PubChem CID154495976
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3R,6S)-2,6-dimethylocta-1,7-diene-3,6-diol
SMILESC=C[C@@](C)(O)CC[C@@H](O)C(=C)C
InChIInChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h5,9,11-12H,1-2,6-7H2,3-4H3/t9-,10-/m1/s1
InChIKeyHZHJGFRDKJPQPV-NXEZZACHSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,6S)-2,6-dimethylocta-1,7-diene-3,6-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,6S)-2,6-dimethylocta-1,7-diene-3,6-diol?
The IUPAC name of (3R,6S)-2,6-dimethylocta-1,7-diene-3,6-diol (CID 154495976) is (3R,6S)-2,6-dimethylocta-1,7-diene-3,6-diol.
What is the SMILES notation for (3R,6S)-2,6-dimethylocta-1,7-diene-3,6-diol?
The canonical SMILES for (3R,6S)-2,6-dimethylocta-1,7-diene-3,6-diol is C=C[C@@](C)(O)CC[C@@H](O)C(=C)C.
What is the InChIKey of (3R,6S)-2,6-dimethylocta-1,7-diene-3,6-diol?
The InChIKey is HZHJGFRDKJPQPV-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h5,9,11-12H,1-2,6-7H2,3-4H3/t9-,10-/m1/s1.
What are the key properties of (3R,6S)-2,6-dimethylocta-1,7-diene-3,6-diol?
(3R,6S)-2,6-dimethylocta-1,7-diene-3,6-diol has a molecular weight of 170.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-2,6-dimethylocta-1,7-diene-3,6-diol is sourced from PubChem (CID 154495976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).