(2Z,5S,6S,7E,9Z)-6,8-dimethylundeca-2,7,9-trien-5-ol

C13H22O — CID 89173054

IUPAC(2Z,5S,6S,7E,9Z)-6,8-dimethylundeca-2,7,9-trien-5-ol
SMILESC/C=C\C[C@H](O)[C@@H](C)/C=C(C)/C=C\C
InChIInChI=1S/C13H22O/c1-5-7-9-13(14)12(4)10-11(3)8-6-2/h5-8,10,12-14H,9H2,1-4H3/b7-5-,8-6-,11-10+/t12-,13-/m0/s1
InChIKeyWZRUDJCVCGOBKP-BHEWTQFASA-N
MW194.32 g/mol
LogP3.47
Rot. Bonds5

About (2Z,5S,6S,7E,9Z)-6,8-dimethylundeca-2,7,9-trien-5-ol

(2Z,5S,6S,7E,9Z)-6,8-dimethylundeca-2,7,9-trien-5-ol (PubChem CID 89173054) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2Z,5S,6S,7E,9Z)-6,8-dimethylundeca-2,7,9-trien-5-ol.

Molecular Properties

Compound Name(2Z,5S,6S,7E,9Z)-6,8-dimethylundeca-2,7,9-trien-5-ol
PubChem CID89173054
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2Z,5S,6S,7E,9Z)-6,8-dimethylundeca-2,7,9-trien-5-ol
SMILESC/C=C\C[C@H](O)[C@@H](C)/C=C(C)/C=C\C
InChIInChI=1S/C13H22O/c1-5-7-9-13(14)12(4)10-11(3)8-6-2/h5-8,10,12-14H,9H2,1-4H3/b7-5-,8-6-,11-10+/t12-,13-/m0/s1
InChIKeyWZRUDJCVCGOBKP-BHEWTQFASA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.47
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 (2Z,5S,6S,7E,9Z)-6,8-dimethylundeca-2,7,9-trien-5-ol?
The IUPAC name of (2Z,5S,6S,7E,9Z)-6,8-dimethylundeca-2,7,9-trien-5-ol (CID 89173054) is (2Z,5S,6S,7E,9Z)-6,8-dimethylundeca-2,7,9-trien-5-ol.
What is the SMILES notation for (2Z,5S,6S,7E,9Z)-6,8-dimethylundeca-2,7,9-trien-5-ol?
The canonical SMILES for (2Z,5S,6S,7E,9Z)-6,8-dimethylundeca-2,7,9-trien-5-ol is C/C=C\C[C@H](O)[C@@H](C)/C=C(C)/C=C\C.
What is the InChIKey of (2Z,5S,6S,7E,9Z)-6,8-dimethylundeca-2,7,9-trien-5-ol?
The InChIKey is WZRUDJCVCGOBKP-BHEWTQFASA-N. The full InChI is InChI=1S/C13H22O/c1-5-7-9-13(14)12(4)10-11(3)8-6-2/h5-8,10,12-14H,9H2,1-4H3/b7-5-,8-6-,11-10+/t12-,13-/m0/s1.
What are the key properties of (2Z,5S,6S,7E,9Z)-6,8-dimethylundeca-2,7,9-trien-5-ol?
(2Z,5S,6S,7E,9Z)-6,8-dimethylundeca-2,7,9-trien-5-ol has a molecular weight of 194.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S,6S,7E,9Z)-6,8-dimethylundeca-2,7,9-trien-5-ol is sourced from PubChem (CID 89173054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).