(3E,6E)-4,6-dimethyl-8-methylidenedodeca-3,6-diene-1,12-diol

C15H26O2 — CID 102599723

IUPAC(3E,6E)-4,6-dimethyl-8-methylidenedodeca-3,6-diene-1,12-diol
SMILESC=C(/C=C(\C)C/C(C)=C/CCO)CCCCO
InChIInChI=1S/C15H26O2/c1-13(7-4-5-9-16)11-15(3)12-14(2)8-6-10-17/h8,11,16-17H,1,4-7,9-10,12H2,2-3H3/b14-8+,15-11+
InChIKeyPFESMKLUQPCBQC-FVXNJELISA-N
MW238.37 g/mol
LogP3.37
Rot. Bonds9

About (3E,6E)-4,6-dimethyl-8-methylidenedodeca-3,6-diene-1,12-diol

(3E,6E)-4,6-dimethyl-8-methylidenedodeca-3,6-diene-1,12-diol (PubChem CID 102599723) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3E,6E)-4,6-dimethyl-8-methylidenedodeca-3,6-diene-1,12-diol.

Molecular Properties

Compound Name(3E,6E)-4,6-dimethyl-8-methylidenedodeca-3,6-diene-1,12-diol
PubChem CID102599723
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3E,6E)-4,6-dimethyl-8-methylidenedodeca-3,6-diene-1,12-diol
SMILESC=C(/C=C(\C)C/C(C)=C/CCO)CCCCO
InChIInChI=1S/C15H26O2/c1-13(7-4-5-9-16)11-15(3)12-14(2)8-6-10-17/h8,11,16-17H,1,4-7,9-10,12H2,2-3H3/b14-8+,15-11+
InChIKeyPFESMKLUQPCBQC-FVXNJELISA-N
XLogP3.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,6E)-4,6-dimethyl-8-methylidenedodeca-3,6-diene-1,12-diol?
The IUPAC name of (3E,6E)-4,6-dimethyl-8-methylidenedodeca-3,6-diene-1,12-diol (CID 102599723) is (3E,6E)-4,6-dimethyl-8-methylidenedodeca-3,6-diene-1,12-diol.
What is the SMILES notation for (3E,6E)-4,6-dimethyl-8-methylidenedodeca-3,6-diene-1,12-diol?
The canonical SMILES for (3E,6E)-4,6-dimethyl-8-methylidenedodeca-3,6-diene-1,12-diol is C=C(/C=C(\C)C/C(C)=C/CCO)CCCCO.
What is the InChIKey of (3E,6E)-4,6-dimethyl-8-methylidenedodeca-3,6-diene-1,12-diol?
The InChIKey is PFESMKLUQPCBQC-FVXNJELISA-N. The full InChI is InChI=1S/C15H26O2/c1-13(7-4-5-9-16)11-15(3)12-14(2)8-6-10-17/h8,11,16-17H,1,4-7,9-10,12H2,2-3H3/b14-8+,15-11+.
What are the key properties of (3E,6E)-4,6-dimethyl-8-methylidenedodeca-3,6-diene-1,12-diol?
(3E,6E)-4,6-dimethyl-8-methylidenedodeca-3,6-diene-1,12-diol has a molecular weight of 238.37 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-4,6-dimethyl-8-methylidenedodeca-3,6-diene-1,12-diol is sourced from PubChem (CID 102599723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).