2,14-dimethoxy-2,14-dimethylpentadecan-8-one

C19H38O3 — CID 162400184

IUPAC2,14-dimethoxy-2,14-dimethylpentadecan-8-one
SMILESCOC(C)(C)CCCCCC(=O)CCCCCC(C)(C)OC
InChIInChI=1S/C19H38O3/c1-18(2,21-5)15-11-7-9-13-17(20)14-10-8-12-16-19(3,4)22-6/h7-16H2,1-6H3
InChIKeyLIJQHAAITMMYSE-UHFFFAOYSA-N
MW314.51 g/mol
LogP5.31
Rot. Bonds14

About 2,14-dimethoxy-2,14-dimethylpentadecan-8-one

2,14-dimethoxy-2,14-dimethylpentadecan-8-one (PubChem CID 162400184) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is 2,14-dimethoxy-2,14-dimethylpentadecan-8-one.

Molecular Properties

Compound Name2,14-dimethoxy-2,14-dimethylpentadecan-8-one
PubChem CID162400184
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name2,14-dimethoxy-2,14-dimethylpentadecan-8-one
SMILESCOC(C)(C)CCCCCC(=O)CCCCCC(C)(C)OC
InChIInChI=1S/C19H38O3/c1-18(2,21-5)15-11-7-9-13-17(20)14-10-8-12-16-19(3,4)22-6/h7-16H2,1-6H3
InChIKeyLIJQHAAITMMYSE-UHFFFAOYSA-N
XLogP5.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,14-dimethoxy-2,14-dimethylpentadecan-8-one?
The IUPAC name of 2,14-dimethoxy-2,14-dimethylpentadecan-8-one (CID 162400184) is 2,14-dimethoxy-2,14-dimethylpentadecan-8-one.
What is the SMILES notation for 2,14-dimethoxy-2,14-dimethylpentadecan-8-one?
The canonical SMILES for 2,14-dimethoxy-2,14-dimethylpentadecan-8-one is COC(C)(C)CCCCCC(=O)CCCCCC(C)(C)OC.
What is the InChIKey of 2,14-dimethoxy-2,14-dimethylpentadecan-8-one?
The InChIKey is LIJQHAAITMMYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3/c1-18(2,21-5)15-11-7-9-13-17(20)14-10-8-12-16-19(3,4)22-6/h7-16H2,1-6H3.
What are the key properties of 2,14-dimethoxy-2,14-dimethylpentadecan-8-one?
2,14-dimethoxy-2,14-dimethylpentadecan-8-one has a molecular weight of 314.51 g/mol, XLogP of 5.31, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,14-dimethoxy-2,14-dimethylpentadecan-8-one is sourced from PubChem (CID 162400184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).