11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one

C15H26O2 — CID 163169635

IUPAC11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one
SMILESCC(C)C(=O)CCC=CC=CC(C)(C)C(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
InChIKeyUVKLYJFZSSUNQM-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.51
Rot. Bonds7

About 11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one

11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one (PubChem CID 163169635) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one.

Molecular Properties

Compound Name11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one
PubChem CID163169635
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one
SMILESCC(C)C(=O)CCC=CC=CC(C)(C)C(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
InChIKeyUVKLYJFZSSUNQM-UHFFFAOYSA-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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Related Compounds

(E)-2-methyldec-6-en-3-one
CID 58528187
2,6,6,7-tetramethyloctan-3-one
CID 155625283
(E)-2-methylnon-7-en-3-one
CID 88707157
(7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-7,10,13,16,19-pentaen-3-one;(6Z,9Z,12Z,15Z,18Z,21Z)-2-methyltetracosa-6,9,12,15,18,21-hexaen-3-one
CID 159107554
5-hydroxy-4,4-dimethylhex-2-enoic acid
CID 163125157
(E,5S)-5-hydroxy-4,4-dimethylhex-2-enoic acid
CID 146682851
(4E,6E)-8-methylnona-4,6-dienoic acid
CID 169444513
(7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one
CID 102265677
3,3-dimethylhex-4-en-2-ol
CID 85445269
(E)-3,3-dimethylhex-4-en-2-ol
CID 12835180
(E)-2-methyldodec-8-en-3-one
CID 176585053
7-hydroxy-2,6,6-trimethylheptan-3-one
CID 159974911

Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one?
The IUPAC name of 11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one (CID 163169635) is 11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one.
What is the SMILES notation for 11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one?
The canonical SMILES for 11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one is CC(C)C(=O)CCC=CC=CC(C)(C)C(C)O.
What is the InChIKey of 11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one?
The InChIKey is UVKLYJFZSSUNQM-UHFFFAOYSA-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.
What are the key properties of 11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one?
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 11-hydroxy-2,10,10-trimethyldodeca-6,8-dien-3-one is sourced from PubChem (CID 163169635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).