(6E,8E)-10-methylundeca-6,8-diene-1,10-diol

C12H22O2 — CID 20714774

IUPAC(6E,8E)-10-methylundeca-6,8-diene-1,10-diol
SMILESCC(C)(O)/C=C/C=C/CCCCCO
InChIInChI=1S/C12H22O2/c1-12(2,14)10-8-6-4-3-5-7-9-11-13/h4,6,8,10,13-14H,3,5,7,9,11H2,1-2H3/b6-4+,10-8+
InChIKeySMGFPDMVZOIAKM-ONNLMXTPSA-N
MW198.31 g/mol
LogP2.42
Rot. Bonds7

About (6E,8E)-10-methylundeca-6,8-diene-1,10-diol

(6E,8E)-10-methylundeca-6,8-diene-1,10-diol (PubChem CID 20714774) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (6E,8E)-10-methylundeca-6,8-diene-1,10-diol.

Molecular Properties

Compound Name(6E,8E)-10-methylundeca-6,8-diene-1,10-diol
PubChem CID20714774
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(6E,8E)-10-methylundeca-6,8-diene-1,10-diol
SMILESCC(C)(O)/C=C/C=C/CCCCCO
InChIInChI=1S/C12H22O2/c1-12(2,14)10-8-6-4-3-5-7-9-11-13/h4,6,8,10,13-14H,3,5,7,9,11H2,1-2H3/b6-4+,10-8+
InChIKeySMGFPDMVZOIAKM-ONNLMXTPSA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(10E,12Z)-octadeca-10,12-dien-1-ol
CID 11601413
tetradeca-7,9-dien-1-ol
CID 56637976
(10Z)-hexadeca-10,12-dien-1-ol
CID 87450795
pentadeca-10,12-dien-1-ol
CID 71370409
pentadeca-5,7-dien-1-ol
CID 91447211
(10Z,12E)-octadeca-10,12-dien-1-ol
CID 140698852
(10E,12E)-hexadeca-10,12,14-trien-1-ol
CID 134532994
tetradeca-9,11,13-trien-1-ol
CID 71341852
(5Z,7Z)-dodeca-5,7-dien-1-ol
CID 5365645
(5E,7E)-trideca-5,7-dien-1-ol
CID 10943429
heptadeca-14,16-dien-1-ol
CID 163204876
deca-7,9-dien-1-ol
CID 54432323

Frequently Asked Questions

What is the IUPAC name of (6E,8E)-10-methylundeca-6,8-diene-1,10-diol?
The IUPAC name of (6E,8E)-10-methylundeca-6,8-diene-1,10-diol (CID 20714774) is (6E,8E)-10-methylundeca-6,8-diene-1,10-diol.
What is the SMILES notation for (6E,8E)-10-methylundeca-6,8-diene-1,10-diol?
The canonical SMILES for (6E,8E)-10-methylundeca-6,8-diene-1,10-diol is CC(C)(O)/C=C/C=C/CCCCCO.
What is the InChIKey of (6E,8E)-10-methylundeca-6,8-diene-1,10-diol?
The InChIKey is SMGFPDMVZOIAKM-ONNLMXTPSA-N. The full InChI is InChI=1S/C12H22O2/c1-12(2,14)10-8-6-4-3-5-7-9-11-13/h4,6,8,10,13-14H,3,5,7,9,11H2,1-2H3/b6-4+,10-8+.
What are the key properties of (6E,8E)-10-methylundeca-6,8-diene-1,10-diol?
(6E,8E)-10-methylundeca-6,8-diene-1,10-diol has a molecular weight of 198.31 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E)-10-methylundeca-6,8-diene-1,10-diol is sourced from PubChem (CID 20714774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).