(6Z,8E)-6-ethenyl-2-methyldodeca-6,8-diene-1,1-diol

C15H26O2 — CID 143996878

IUPAC(6Z,8E)-6-ethenyl-2-methyldodeca-6,8-diene-1,1-diol
SMILESC=C/C(=C\C=C\CCC)CCCC(C)C(O)O
InChIInChI=1S/C15H26O2/c1-4-6-7-8-11-14(5-2)12-9-10-13(3)15(16)17/h5,7-8,11,13,15-17H,2,4,6,9-10,12H2,1,3H3/b8-7+,14-11+
InChIKeyVEENPEKFTGSFBI-DQBULIGTSA-N
MW238.37 g/mol
LogP3.57
Rot. Bonds9

About (6Z,8E)-6-ethenyl-2-methyldodeca-6,8-diene-1,1-diol

(6Z,8E)-6-ethenyl-2-methyldodeca-6,8-diene-1,1-diol (PubChem CID 143996878) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (6Z,8E)-6-ethenyl-2-methyldodeca-6,8-diene-1,1-diol.

Molecular Properties

Compound Name(6Z,8E)-6-ethenyl-2-methyldodeca-6,8-diene-1,1-diol
PubChem CID143996878
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(6Z,8E)-6-ethenyl-2-methyldodeca-6,8-diene-1,1-diol
SMILESC=C/C(=C\C=C\CCC)CCCC(C)C(O)O
InChIInChI=1S/C15H26O2/c1-4-6-7-8-11-14(5-2)12-9-10-13(3)15(16)17/h5,7-8,11,13,15-17H,2,4,6,9-10,12H2,1,3H3/b8-7+,14-11+
InChIKeyVEENPEKFTGSFBI-DQBULIGTSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 154088357
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CID 158832591
(3Z)-hepta-1,3-diene
CID 6427773
(4Z,6Z)-4-ethenylnona-4,6-dienoic acid
CID 176673158
deca-1,6-dien-3-ol
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(7E)-deca-7,9-dien-4-ol
CID 46176590
3-ethylideneoct-1-ene
CID 91511297
(E)-2-methyldodec-8-en-3-one
CID 176585053
deca-7,9-dien-3-one
CID 141369431
(E)-2-methyldec-6-en-3-one
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(2Z,4E)-2-hydroxyocta-2,4-dienoic acid
CID 87665595

Frequently Asked Questions

What is the IUPAC name of (6Z,8E)-6-ethenyl-2-methyldodeca-6,8-diene-1,1-diol?
The IUPAC name of (6Z,8E)-6-ethenyl-2-methyldodeca-6,8-diene-1,1-diol (CID 143996878) is (6Z,8E)-6-ethenyl-2-methyldodeca-6,8-diene-1,1-diol.
What is the SMILES notation for (6Z,8E)-6-ethenyl-2-methyldodeca-6,8-diene-1,1-diol?
The canonical SMILES for (6Z,8E)-6-ethenyl-2-methyldodeca-6,8-diene-1,1-diol is C=C/C(=C\C=C\CCC)CCCC(C)C(O)O.
What is the InChIKey of (6Z,8E)-6-ethenyl-2-methyldodeca-6,8-diene-1,1-diol?
The InChIKey is VEENPEKFTGSFBI-DQBULIGTSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-6-7-8-11-14(5-2)12-9-10-13(3)15(16)17/h5,7-8,11,13,15-17H,2,4,6,9-10,12H2,1,3H3/b8-7+,14-11+.
What are the key properties of (6Z,8E)-6-ethenyl-2-methyldodeca-6,8-diene-1,1-diol?
(6Z,8E)-6-ethenyl-2-methyldodeca-6,8-diene-1,1-diol has a molecular weight of 238.37 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E)-6-ethenyl-2-methyldodeca-6,8-diene-1,1-diol is sourced from PubChem (CID 143996878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).