(3E,7E)-4,8-dimethylundeca-3,7-diene-1,11-diol

C13H24O2 — CID 156581629

IUPAC(3E,7E)-4,8-dimethylundeca-3,7-diene-1,11-diol
SMILESC/C(=C\CCO)CC/C=C(\C)CCCO
InChIInChI=1S/C13H24O2/c1-12(8-4-10-14)6-3-7-13(2)9-5-11-15/h6,9,14-15H,3-5,7-8,10-11H2,1-2H3/b12-6+,13-9+
InChIKeyQKIBQVIRMUQLMR-IWFZMGPQSA-N
MW212.33 g/mol
LogP2.81
Rot. Bonds8

About (3E,7E)-4,8-dimethylundeca-3,7-diene-1,11-diol

(3E,7E)-4,8-dimethylundeca-3,7-diene-1,11-diol (PubChem CID 156581629) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (3E,7E)-4,8-dimethylundeca-3,7-diene-1,11-diol.

Molecular Properties

Compound Name(3E,7E)-4,8-dimethylundeca-3,7-diene-1,11-diol
PubChem CID156581629
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(3E,7E)-4,8-dimethylundeca-3,7-diene-1,11-diol
SMILESC/C(=C\CCO)CC/C=C(\C)CCCO
InChIInChI=1S/C13H24O2/c1-12(8-4-10-14)6-3-7-13(2)9-5-11-15/h6,9,14-15H,3-5,7-8,10-11H2,1-2H3/b12-6+,13-9+
InChIKeyQKIBQVIRMUQLMR-IWFZMGPQSA-N
XLogP2.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,7E)-4,8-dimethylundeca-3,7-diene-1,11-diol?
The IUPAC name of (3E,7E)-4,8-dimethylundeca-3,7-diene-1,11-diol (CID 156581629) is (3E,7E)-4,8-dimethylundeca-3,7-diene-1,11-diol.
What is the SMILES notation for (3E,7E)-4,8-dimethylundeca-3,7-diene-1,11-diol?
The canonical SMILES for (3E,7E)-4,8-dimethylundeca-3,7-diene-1,11-diol is C/C(=C\CCO)CC/C=C(\C)CCCO.
What is the InChIKey of (3E,7E)-4,8-dimethylundeca-3,7-diene-1,11-diol?
The InChIKey is QKIBQVIRMUQLMR-IWFZMGPQSA-N. The full InChI is InChI=1S/C13H24O2/c1-12(8-4-10-14)6-3-7-13(2)9-5-11-15/h6,9,14-15H,3-5,7-8,10-11H2,1-2H3/b12-6+,13-9+.
What are the key properties of (3E,7E)-4,8-dimethylundeca-3,7-diene-1,11-diol?
(3E,7E)-4,8-dimethylundeca-3,7-diene-1,11-diol has a molecular weight of 212.33 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-4,8-dimethylundeca-3,7-diene-1,11-diol is sourced from PubChem (CID 156581629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).