(6E)-10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one

C15H26O2 — CID 102125253

IUPAC(6E)-10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one
SMILESC=CC(C)(O)CC/C=C(\C)CC(=O)CC(C)C
InChIInChI=1S/C15H26O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,12,17H,1,7,9-11H2,2-5H3/b13-8+
InChIKeyLFCOUSYLSOXCHP-MDWZMJQESA-N
MW238.37 g/mol
LogP3.66
Rot. Bonds8

About (6E)-10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one

(6E)-10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one (PubChem CID 102125253) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (6E)-10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one.

Molecular Properties

Compound Name(6E)-10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one
PubChem CID102125253
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(6E)-10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one
SMILESC=CC(C)(O)CC/C=C(\C)CC(=O)CC(C)C
InChIInChI=1S/C15H26O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,12,17H,1,7,9-11H2,2-5H3/b13-8+
InChIKeyLFCOUSYLSOXCHP-MDWZMJQESA-N
XLogP3.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (6E)-10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one?
The IUPAC name of (6E)-10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one (CID 102125253) is (6E)-10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one.
What is the SMILES notation for (6E)-10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one?
The canonical SMILES for (6E)-10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one is C=CC(C)(O)CC/C=C(\C)CC(=O)CC(C)C.
What is the InChIKey of (6E)-10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one?
The InChIKey is LFCOUSYLSOXCHP-MDWZMJQESA-N. The full InChI is InChI=1S/C15H26O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,12,17H,1,7,9-11H2,2-5H3/b13-8+.
What are the key properties of (6E)-10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one?
(6E)-10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one has a molecular weight of 238.37 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one is sourced from PubChem (CID 102125253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).