(2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid

C15H24O3 — CID 11615793

IUPAC(2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid
SMILESC=CC(C)(O)CC/C=C(/C)CC/C=C(\C)C(=O)O
InChIInChI=1S/C15H24O3/c1-5-15(4,18)11-7-9-12(2)8-6-10-13(3)14(16)17/h5,9-10,18H,1,6-8,11H2,2-4H3,(H,16,17)/b12-9-,13-10+
InChIKeyIHMMUPDOCKKRPO-TVRQEHKRSA-N
MW252.35 g/mol
LogP3.46
Rot. Bonds8

About (2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid

(2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid (PubChem CID 11615793) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid.

Molecular Properties

Compound Name(2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid
PubChem CID11615793
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid
SMILESC=CC(C)(O)CC/C=C(/C)CC/C=C(\C)C(=O)O
InChIInChI=1S/C15H24O3/c1-5-15(4,18)11-7-9-12(2)8-6-10-13(3)14(16)17/h5,9-10,18H,1,6-8,11H2,2-4H3,(H,16,17)/b12-9-,13-10+
InChIKeyIHMMUPDOCKKRPO-TVRQEHKRSA-N
XLogP3.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid?
The IUPAC name of (2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid (CID 11615793) is (2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid.
What is the SMILES notation for (2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid?
The canonical SMILES for (2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid is C=CC(C)(O)CC/C=C(/C)CC/C=C(\C)C(=O)O.
What is the InChIKey of (2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid?
The InChIKey is IHMMUPDOCKKRPO-TVRQEHKRSA-N. The full InChI is InChI=1S/C15H24O3/c1-5-15(4,18)11-7-9-12(2)8-6-10-13(3)14(16)17/h5,9-10,18H,1,6-8,11H2,2-4H3,(H,16,17)/b12-9-,13-10+.
What are the key properties of (2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid?
(2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid has a molecular weight of 252.35 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid is sourced from PubChem (CID 11615793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).