(4E,6Z)-3,7-dimethyldeca-4,6-diene-2,4-diol

C12H22O2 — CID 89393236

IUPAC(4E,6Z)-3,7-dimethyldeca-4,6-diene-2,4-diol
SMILESCCC/C(C)=C\C=C(\O)C(C)C(C)O
InChIInChI=1S/C12H22O2/c1-5-6-9(2)7-8-12(14)10(3)11(4)13/h7-8,10-11,13-14H,5-6H2,1-4H3/b9-7-,12-8+
InChIKeyXUAXABDYAZMGRE-ZUQSVMQASA-N
MW198.31 g/mol
LogP3.19
Rot. Bonds5

About (4E,6Z)-3,7-dimethyldeca-4,6-diene-2,4-diol

(4E,6Z)-3,7-dimethyldeca-4,6-diene-2,4-diol (PubChem CID 89393236) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (4E,6Z)-3,7-dimethyldeca-4,6-diene-2,4-diol.

Molecular Properties

Compound Name(4E,6Z)-3,7-dimethyldeca-4,6-diene-2,4-diol
PubChem CID89393236
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(4E,6Z)-3,7-dimethyldeca-4,6-diene-2,4-diol
SMILESCCC/C(C)=C\C=C(\O)C(C)C(C)O
InChIInChI=1S/C12H22O2/c1-5-6-9(2)7-8-12(14)10(3)11(4)13/h7-8,10-11,13-14H,5-6H2,1-4H3/b9-7-,12-8+
InChIKeyXUAXABDYAZMGRE-ZUQSVMQASA-N
XLogP3.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-3,7-dimethyldeca-4,6-diene-2,4-diol?
The IUPAC name of (4E,6Z)-3,7-dimethyldeca-4,6-diene-2,4-diol (CID 89393236) is (4E,6Z)-3,7-dimethyldeca-4,6-diene-2,4-diol.
What is the SMILES notation for (4E,6Z)-3,7-dimethyldeca-4,6-diene-2,4-diol?
The canonical SMILES for (4E,6Z)-3,7-dimethyldeca-4,6-diene-2,4-diol is CCC/C(C)=C\C=C(\O)C(C)C(C)O.
What is the InChIKey of (4E,6Z)-3,7-dimethyldeca-4,6-diene-2,4-diol?
The InChIKey is XUAXABDYAZMGRE-ZUQSVMQASA-N. The full InChI is InChI=1S/C12H22O2/c1-5-6-9(2)7-8-12(14)10(3)11(4)13/h7-8,10-11,13-14H,5-6H2,1-4H3/b9-7-,12-8+.
What are the key properties of (4E,6Z)-3,7-dimethyldeca-4,6-diene-2,4-diol?
(4E,6Z)-3,7-dimethyldeca-4,6-diene-2,4-diol has a molecular weight of 198.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-3,7-dimethyldeca-4,6-diene-2,4-diol is sourced from PubChem (CID 89393236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).