(6E,8E,11S)-11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one

C15H26O2 — CID 146682849

IUPAC(6E,8E,11S)-11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one
SMILESCC(C)C(=O)CC/C=C/C=C/C(C)(C)[C@H](C)O
InChIInChI=1S/C15H26O2/c1-12(2)14(17)10-8-6-7-9-11-15(4,5)13(3)16/h6-7,9,11-13,16H,8,10H2,1-5H3/b7-6+,11-9+/t13-/m0/s1
InChIKeyUVKLYJFZSSUNQM-PCJSDPOXSA-N
MW238.37 g/mol
LogP3.51
Rot. Bonds7

About (6E,8E,11S)-11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one

(6E,8E,11S)-11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one (PubChem CID 146682849) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (6E,8E,11S)-11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one.

Molecular Properties

Compound Name(6E,8E,11S)-11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one
PubChem CID146682849
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(6E,8E,11S)-11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one
SMILESCC(C)C(=O)CC/C=C/C=C/C(C)(C)[C@H](C)O
InChIInChI=1S/C15H26O2/c1-12(2)14(17)10-8-6-7-9-11-15(4,5)13(3)16/h6-7,9,11-13,16H,8,10H2,1-5H3/b7-6+,11-9+/t13-/m0/s1
InChIKeyUVKLYJFZSSUNQM-PCJSDPOXSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E,8E,11S)-11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one?
The IUPAC name of (6E,8E,11S)-11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one (CID 146682849) is (6E,8E,11S)-11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one.
What is the SMILES notation for (6E,8E,11S)-11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one?
The canonical SMILES for (6E,8E,11S)-11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one is CC(C)C(=O)CC/C=C/C=C/C(C)(C)[C@H](C)O.
What is the InChIKey of (6E,8E,11S)-11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one?
The InChIKey is UVKLYJFZSSUNQM-PCJSDPOXSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(2)14(17)10-8-6-7-9-11-15(4,5)13(3)16/h6-7,9,11-13,16H,8,10H2,1-5H3/b7-6+,11-9+/t13-/m0/s1.
What are the key properties of (6E,8E,11S)-11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one?
(6E,8E,11S)-11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one has a molecular weight of 238.37 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E,11S)-11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one is sourced from PubChem (CID 146682849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).