1,15-dihydroxy-2,2,14,14-tetramethylpentadecan-8-one

C19H38O3 — CID 11738551

IUPAC1,15-dihydroxy-2,2,14,14-tetramethylpentadecan-8-one
SMILESCC(C)(CO)CCCCCC(=O)CCCCCC(C)(C)CO
InChIInChI=1S/C19H38O3/c1-18(2,15-20)13-9-5-7-11-17(22)12-8-6-10-14-19(3,4)16-21/h20-21H,5-16H2,1-4H3
InChIKeyDUKRINNOEOZESB-UHFFFAOYSA-N
MW314.51 g/mol
LogP4.49
Rot. Bonds14

About 1,15-dihydroxy-2,2,14,14-tetramethylpentadecan-8-one

1,15-dihydroxy-2,2,14,14-tetramethylpentadecan-8-one (PubChem CID 11738551) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is 1,15-dihydroxy-2,2,14,14-tetramethylpentadecan-8-one.

Molecular Properties

Compound Name1,15-dihydroxy-2,2,14,14-tetramethylpentadecan-8-one
PubChem CID11738551
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name1,15-dihydroxy-2,2,14,14-tetramethylpentadecan-8-one
SMILESCC(C)(CO)CCCCCC(=O)CCCCCC(C)(C)CO
InChIInChI=1S/C19H38O3/c1-18(2,15-20)13-9-5-7-11-17(22)12-8-6-10-14-19(3,4)16-21/h20-21H,5-16H2,1-4H3
InChIKeyDUKRINNOEOZESB-UHFFFAOYSA-N
XLogP4.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 54.49
H-Bond Donors ≤ 52
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 1,15-dihydroxy-2,2,14,14-tetramethylpentadecan-8-one?
The IUPAC name of 1,15-dihydroxy-2,2,14,14-tetramethylpentadecan-8-one (CID 11738551) is 1,15-dihydroxy-2,2,14,14-tetramethylpentadecan-8-one.
What is the SMILES notation for 1,15-dihydroxy-2,2,14,14-tetramethylpentadecan-8-one?
The canonical SMILES for 1,15-dihydroxy-2,2,14,14-tetramethylpentadecan-8-one is CC(C)(CO)CCCCCC(=O)CCCCCC(C)(C)CO.
What is the InChIKey of 1,15-dihydroxy-2,2,14,14-tetramethylpentadecan-8-one?
The InChIKey is DUKRINNOEOZESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3/c1-18(2,15-20)13-9-5-7-11-17(22)12-8-6-10-14-19(3,4)16-21/h20-21H,5-16H2,1-4H3.
What are the key properties of 1,15-dihydroxy-2,2,14,14-tetramethylpentadecan-8-one?
1,15-dihydroxy-2,2,14,14-tetramethylpentadecan-8-one has a molecular weight of 314.51 g/mol, XLogP of 4.49, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,15-dihydroxy-2,2,14,14-tetramethylpentadecan-8-one is sourced from PubChem (CID 11738551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).