(7E,9E)-2,6,10-trimethyldodeca-2,7,9,11-tetraen-6-ol

C15H24O — CID 11117576

IUPAC(7E,9E)-2,6,10-trimethyldodeca-2,7,9,11-tetraen-6-ol
SMILESC=C/C(C)=C/C=C/C(C)(O)CCC=C(C)C
InChIInChI=1S/C15H24O/c1-6-14(4)10-8-12-15(5,16)11-7-9-13(2)3/h6,8-10,12,16H,1,7,11H2,2-5H3/b12-8+,14-10+
InChIKeyVJBVZYOKPWWGLN-HNXSEKISSA-N
MW220.36 g/mol
LogP4.17
Rot. Bonds6

About (7E,9E)-2,6,10-trimethyldodeca-2,7,9,11-tetraen-6-ol

(7E,9E)-2,6,10-trimethyldodeca-2,7,9,11-tetraen-6-ol (PubChem CID 11117576) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (7E,9E)-2,6,10-trimethyldodeca-2,7,9,11-tetraen-6-ol.

Molecular Properties

Compound Name(7E,9E)-2,6,10-trimethyldodeca-2,7,9,11-tetraen-6-ol
PubChem CID11117576
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(7E,9E)-2,6,10-trimethyldodeca-2,7,9,11-tetraen-6-ol
SMILESC=C/C(C)=C/C=C/C(C)(O)CCC=C(C)C
InChIInChI=1S/C15H24O/c1-6-14(4)10-8-12-15(5,16)11-7-9-13(2)3/h6,8-10,12,16H,1,7,11H2,2-5H3/b12-8+,14-10+
InChIKeyVJBVZYOKPWWGLN-HNXSEKISSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (7E,9E)-2,6,10-trimethyldodeca-2,7,9,11-tetraen-6-ol?
The IUPAC name of (7E,9E)-2,6,10-trimethyldodeca-2,7,9,11-tetraen-6-ol (CID 11117576) is (7E,9E)-2,6,10-trimethyldodeca-2,7,9,11-tetraen-6-ol.
What is the SMILES notation for (7E,9E)-2,6,10-trimethyldodeca-2,7,9,11-tetraen-6-ol?
The canonical SMILES for (7E,9E)-2,6,10-trimethyldodeca-2,7,9,11-tetraen-6-ol is C=C/C(C)=C/C=C/C(C)(O)CCC=C(C)C.
What is the InChIKey of (7E,9E)-2,6,10-trimethyldodeca-2,7,9,11-tetraen-6-ol?
The InChIKey is VJBVZYOKPWWGLN-HNXSEKISSA-N. The full InChI is InChI=1S/C15H24O/c1-6-14(4)10-8-12-15(5,16)11-7-9-13(2)3/h6,8-10,12,16H,1,7,11H2,2-5H3/b12-8+,14-10+.
What are the key properties of (7E,9E)-2,6,10-trimethyldodeca-2,7,9,11-tetraen-6-ol?
(7E,9E)-2,6,10-trimethyldodeca-2,7,9,11-tetraen-6-ol has a molecular weight of 220.36 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9E)-2,6,10-trimethyldodeca-2,7,9,11-tetraen-6-ol is sourced from PubChem (CID 11117576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).