(2E,6E,9S,10R)-2,6,10-trimethyldodeca-2,6,11-triene-1,9,10-triol

C15H26O3 — CID 639032

IUPAC(2E,6E,9S,10R)-2,6,10-trimethyldodeca-2,6,11-triene-1,9,10-triol
SMILESC=C[C@@](C)(O)[C@@H](O)C/C=C(\C)CC/C=C(\C)CO
InChIInChI=1S/C15H26O3/c1-5-15(4,18)14(17)10-9-12(2)7-6-8-13(3)11-16/h5,8-9,14,16-18H,1,6-7,10-11H2,2-4H3/b12-9+,13-8+/t14-,15+/m0/s1
InChIKeyHQOMBCGUQWKTRC-CYEDWZSRSA-N
MW254.37 g/mol
LogP2.34
Rot. Bonds8

About (2E,6E,9S,10R)-2,6,10-trimethyldodeca-2,6,11-triene-1,9,10-triol

(2E,6E,9S,10R)-2,6,10-trimethyldodeca-2,6,11-triene-1,9,10-triol (PubChem CID 639032) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2E,6E,9S,10R)-2,6,10-trimethyldodeca-2,6,11-triene-1,9,10-triol.

Molecular Properties

Compound Name(2E,6E,9S,10R)-2,6,10-trimethyldodeca-2,6,11-triene-1,9,10-triol
PubChem CID639032
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2E,6E,9S,10R)-2,6,10-trimethyldodeca-2,6,11-triene-1,9,10-triol
SMILESC=C[C@@](C)(O)[C@@H](O)C/C=C(\C)CC/C=C(\C)CO
InChIInChI=1S/C15H26O3/c1-5-15(4,18)14(17)10-9-12(2)7-6-8-13(3)11-16/h5,8-9,14,16-18H,1,6-7,10-11H2,2-4H3/b12-9+,13-8+/t14-,15+/m0/s1
InChIKeyHQOMBCGUQWKTRC-CYEDWZSRSA-N
XLogP2.34
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E,9S,10R)-2,6,10-trimethyldodeca-2,6,11-triene-1,9,10-triol?
The IUPAC name of (2E,6E,9S,10R)-2,6,10-trimethyldodeca-2,6,11-triene-1,9,10-triol (CID 639032) is (2E,6E,9S,10R)-2,6,10-trimethyldodeca-2,6,11-triene-1,9,10-triol.
What is the SMILES notation for (2E,6E,9S,10R)-2,6,10-trimethyldodeca-2,6,11-triene-1,9,10-triol?
The canonical SMILES for (2E,6E,9S,10R)-2,6,10-trimethyldodeca-2,6,11-triene-1,9,10-triol is C=C[C@@](C)(O)[C@@H](O)C/C=C(\C)CC/C=C(\C)CO.
What is the InChIKey of (2E,6E,9S,10R)-2,6,10-trimethyldodeca-2,6,11-triene-1,9,10-triol?
The InChIKey is HQOMBCGUQWKTRC-CYEDWZSRSA-N. The full InChI is InChI=1S/C15H26O3/c1-5-15(4,18)14(17)10-9-12(2)7-6-8-13(3)11-16/h5,8-9,14,16-18H,1,6-7,10-11H2,2-4H3/b12-9+,13-8+/t14-,15+/m0/s1.
What are the key properties of (2E,6E,9S,10R)-2,6,10-trimethyldodeca-2,6,11-triene-1,9,10-triol?
(2E,6E,9S,10R)-2,6,10-trimethyldodeca-2,6,11-triene-1,9,10-triol has a molecular weight of 254.37 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,9S,10R)-2,6,10-trimethyldodeca-2,6,11-triene-1,9,10-triol is sourced from PubChem (CID 639032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).