3-hydroxy-3,4,4,5-tetramethyldec-1-en-1-one

C14H26O2 — CID 54156858

IUPAC3-hydroxy-3,4,4,5-tetramethyldec-1-en-1-one
SMILESCCCCCC(C)C(C)(C)C(C)(O)C=C=O
InChIInChI=1S/C14H26O2/c1-6-7-8-9-12(2)13(3,4)14(5,16)10-11-15/h10,12,16H,6-9H2,1-5H3
InChIKeyOLRPMZLTUYMLSO-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.37
Rot. Bonds7

About 3-hydroxy-3,4,4,5-tetramethyldec-1-en-1-one

3-hydroxy-3,4,4,5-tetramethyldec-1-en-1-one (PubChem CID 54156858) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-hydroxy-3,4,4,5-tetramethyldec-1-en-1-one.

Molecular Properties

Compound Name3-hydroxy-3,4,4,5-tetramethyldec-1-en-1-one
PubChem CID54156858
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name3-hydroxy-3,4,4,5-tetramethyldec-1-en-1-one
SMILESCCCCCC(C)C(C)(C)C(C)(O)C=C=O
InChIInChI=1S/C14H26O2/c1-6-7-8-9-12(2)13(3,4)14(5,16)10-11-15/h10,12,16H,6-9H2,1-5H3
InChIKeyOLRPMZLTUYMLSO-UHFFFAOYSA-N
XLogP3.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride
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2,2,3-trimethylundecane
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4-methyldodecane-3,3-diol
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3-ethyl-4-methyldodecan-3-ol
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2-(2,3,3,4-tetramethylheptadecan-2-yl)guanidine
CID 87807871
5,6-dimethyl-5-propyltridecane-4,4-diol
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2,2,11,11-tetraisocyanato-3,10-dimethyldodecane-1,1,1,12,12,12-hexol
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3,4,4,5-tetramethyldec-1-en-1-one?
The IUPAC name of 3-hydroxy-3,4,4,5-tetramethyldec-1-en-1-one (CID 54156858) is 3-hydroxy-3,4,4,5-tetramethyldec-1-en-1-one.
What is the SMILES notation for 3-hydroxy-3,4,4,5-tetramethyldec-1-en-1-one?
The canonical SMILES for 3-hydroxy-3,4,4,5-tetramethyldec-1-en-1-one is CCCCCC(C)C(C)(C)C(C)(O)C=C=O.
What is the InChIKey of 3-hydroxy-3,4,4,5-tetramethyldec-1-en-1-one?
The InChIKey is OLRPMZLTUYMLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-6-7-8-9-12(2)13(3,4)14(5,16)10-11-15/h10,12,16H,6-9H2,1-5H3.
What are the key properties of 3-hydroxy-3,4,4,5-tetramethyldec-1-en-1-one?
3-hydroxy-3,4,4,5-tetramethyldec-1-en-1-one has a molecular weight of 226.36 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3,4,4,5-tetramethyldec-1-en-1-one is sourced from PubChem (CID 54156858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).