2,2,14,14-tetramethylpentadecane-1,15-diol

C19H40O2 — CID 11174099

IUPAC2,2,14,14-tetramethylpentadecane-1,15-diol
SMILESCC(C)(CO)CCCCCCCCCCCC(C)(C)CO
InChIInChI=1S/C19H40O2/c1-18(2,16-20)14-12-10-8-6-5-7-9-11-13-15-19(3,4)17-21/h20-21H,5-17H2,1-4H3
InChIKeyOYNWBGSRONELHQ-UHFFFAOYSA-N
MW300.53 g/mol
LogP5.31
Rot. Bonds14

About 2,2,14,14-tetramethylpentadecane-1,15-diol

2,2,14,14-tetramethylpentadecane-1,15-diol (PubChem CID 11174099) has the molecular formula C19H40O2 and a molecular weight of 300.53 g/mol. Its IUPAC name is 2,2,14,14-tetramethylpentadecane-1,15-diol.

Molecular Properties

Compound Name2,2,14,14-tetramethylpentadecane-1,15-diol
PubChem CID11174099
Molecular FormulaC19H40O2
Molecular Weight300.53 g/mol
Exact Mass300.30
IUPAC Name2,2,14,14-tetramethylpentadecane-1,15-diol
SMILESCC(C)(CO)CCCCCCCCCCCC(C)(C)CO
InChIInChI=1S/C19H40O2/c1-18(2,16-20)14-12-10-8-6-5-7-9-11-13-15-19(3,4)17-21/h20-21H,5-17H2,1-4H3
InChIKeyOYNWBGSRONELHQ-UHFFFAOYSA-N
XLogP5.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2,2,14,14-tetramethylpentadecane-1,15-diol?
The IUPAC name of 2,2,14,14-tetramethylpentadecane-1,15-diol (CID 11174099) is 2,2,14,14-tetramethylpentadecane-1,15-diol.
What is the SMILES notation for 2,2,14,14-tetramethylpentadecane-1,15-diol?
The canonical SMILES for 2,2,14,14-tetramethylpentadecane-1,15-diol is CC(C)(CO)CCCCCCCCCCCC(C)(C)CO.
What is the InChIKey of 2,2,14,14-tetramethylpentadecane-1,15-diol?
The InChIKey is OYNWBGSRONELHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2/c1-18(2,16-20)14-12-10-8-6-5-7-9-11-13-15-19(3,4)17-21/h20-21H,5-17H2,1-4H3.
What are the key properties of 2,2,14,14-tetramethylpentadecane-1,15-diol?
2,2,14,14-tetramethylpentadecane-1,15-diol has a molecular weight of 300.53 g/mol, XLogP of 5.31, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,14,14-tetramethylpentadecane-1,15-diol is sourced from PubChem (CID 11174099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).