(3R,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-diol

C11H20O2 — CID 134965022

IUPAC(3R,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-diol
SMILESC=C[C@@H](C)[C@@H](O)C[C@H](O)[C@@H](C)C=C
InChIInChI=1S/C11H20O2/c1-5-8(3)10(12)7-11(13)9(4)6-2/h5-6,8-13H,1-2,7H2,3-4H3/t8-,9+,10-,11-/m0/s1
InChIKeyKZFYWSLVOJFJRJ-VLEAKVRGSA-N
MW184.28 g/mol
LogP1.74
Rot. Bonds6

About (3R,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-diol

(3R,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-diol (PubChem CID 134965022) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (3R,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-diol.

Molecular Properties

Compound Name(3R,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-diol
PubChem CID134965022
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(3R,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-diol
SMILESC=C[C@@H](C)[C@@H](O)C[C@H](O)[C@@H](C)C=C
InChIInChI=1S/C11H20O2/c1-5-8(3)10(12)7-11(13)9(4)6-2/h5-6,8-13H,1-2,7H2,3-4H3/t8-,9+,10-,11-/m0/s1
InChIKeyKZFYWSLVOJFJRJ-VLEAKVRGSA-N
XLogP1.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-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,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-diol?
The IUPAC name of (3R,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-diol (CID 134965022) is (3R,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-diol.
What is the SMILES notation for (3R,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-diol?
The canonical SMILES for (3R,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-diol is C=C[C@@H](C)[C@@H](O)C[C@H](O)[C@@H](C)C=C.
What is the InChIKey of (3R,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-diol?
The InChIKey is KZFYWSLVOJFJRJ-VLEAKVRGSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-8(3)10(12)7-11(13)9(4)6-2/h5-6,8-13H,1-2,7H2,3-4H3/t8-,9+,10-,11-/m0/s1.
What are the key properties of (3R,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-diol?
(3R,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-diol has a molecular weight of 184.28 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6S,7S)-3,7-dimethylnona-1,8-diene-4,6-diol is sourced from PubChem (CID 134965022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).