(3S,4S,5E,7Z)-4,6-dimethylnona-5,7-diene-1,3-diol

C11H20O2 — CID 89173050

IUPAC(3S,4S,5E,7Z)-4,6-dimethylnona-5,7-diene-1,3-diol
SMILESC/C=C\C(C)=C\[C@H](C)[C@@H](O)CCO
InChIInChI=1S/C11H20O2/c1-4-5-9(2)8-10(3)11(13)6-7-12/h4-5,8,10-13H,6-7H2,1-3H3/b5-4-,9-8+/t10-,11-/m0/s1
InChIKeyAGCRQUOPLZHCHN-LBXMSVAYSA-N
MW184.28 g/mol
LogP1.89
Rot. Bonds5

About (3S,4S,5E,7Z)-4,6-dimethylnona-5,7-diene-1,3-diol

(3S,4S,5E,7Z)-4,6-dimethylnona-5,7-diene-1,3-diol (PubChem CID 89173050) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (3S,4S,5E,7Z)-4,6-dimethylnona-5,7-diene-1,3-diol.

Molecular Properties

Compound Name(3S,4S,5E,7Z)-4,6-dimethylnona-5,7-diene-1,3-diol
PubChem CID89173050
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(3S,4S,5E,7Z)-4,6-dimethylnona-5,7-diene-1,3-diol
SMILESC/C=C\C(C)=C\[C@H](C)[C@@H](O)CCO
InChIInChI=1S/C11H20O2/c1-4-5-9(2)8-10(3)11(13)6-7-12/h4-5,8,10-13H,6-7H2,1-3H3/b5-4-,9-8+/t10-,11-/m0/s1
InChIKeyAGCRQUOPLZHCHN-LBXMSVAYSA-N
XLogP1.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5E,7Z)-4,6-dimethylnona-5,7-diene-1,3-diol?
The IUPAC name of (3S,4S,5E,7Z)-4,6-dimethylnona-5,7-diene-1,3-diol (CID 89173050) is (3S,4S,5E,7Z)-4,6-dimethylnona-5,7-diene-1,3-diol.
What is the SMILES notation for (3S,4S,5E,7Z)-4,6-dimethylnona-5,7-diene-1,3-diol?
The canonical SMILES for (3S,4S,5E,7Z)-4,6-dimethylnona-5,7-diene-1,3-diol is C/C=C\C(C)=C\[C@H](C)[C@@H](O)CCO.
What is the InChIKey of (3S,4S,5E,7Z)-4,6-dimethylnona-5,7-diene-1,3-diol?
The InChIKey is AGCRQUOPLZHCHN-LBXMSVAYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-9(2)8-10(3)11(13)6-7-12/h4-5,8,10-13H,6-7H2,1-3H3/b5-4-,9-8+/t10-,11-/m0/s1.
What are the key properties of (3S,4S,5E,7Z)-4,6-dimethylnona-5,7-diene-1,3-diol?
(3S,4S,5E,7Z)-4,6-dimethylnona-5,7-diene-1,3-diol has a molecular weight of 184.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5E,7Z)-4,6-dimethylnona-5,7-diene-1,3-diol is sourced from PubChem (CID 89173050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).