2,2,12,12-tetramethyltridecane-1,13-diol

C17H36O2 — CID 11208038

IUPAC2,2,12,12-tetramethyltridecane-1,13-diol
SMILESCC(C)(CO)CCCCCCCCCC(C)(C)CO
InChIInChI=1S/C17H36O2/c1-16(2,14-18)12-10-8-6-5-7-9-11-13-17(3,4)15-19/h18-19H,5-15H2,1-4H3
InChIKeyHHBDRESHJSXDRS-UHFFFAOYSA-N
MW272.47 g/mol
LogP4.53
Rot. Bonds12

About 2,2,12,12-tetramethyltridecane-1,13-diol

2,2,12,12-tetramethyltridecane-1,13-diol (PubChem CID 11208038) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 2,2,12,12-tetramethyltridecane-1,13-diol.

Molecular Properties

Compound Name2,2,12,12-tetramethyltridecane-1,13-diol
PubChem CID11208038
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name2,2,12,12-tetramethyltridecane-1,13-diol
SMILESCC(C)(CO)CCCCCCCCCC(C)(C)CO
InChIInChI=1S/C17H36O2/c1-16(2,14-18)12-10-8-6-5-7-9-11-13-17(3,4)15-19/h18-19H,5-15H2,1-4H3
InChIKeyHHBDRESHJSXDRS-UHFFFAOYSA-N
XLogP4.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 54.53
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 2,2,12,12-tetramethyltridecane-1,13-diol?
The IUPAC name of 2,2,12,12-tetramethyltridecane-1,13-diol (CID 11208038) is 2,2,12,12-tetramethyltridecane-1,13-diol.
What is the SMILES notation for 2,2,12,12-tetramethyltridecane-1,13-diol?
The canonical SMILES for 2,2,12,12-tetramethyltridecane-1,13-diol is CC(C)(CO)CCCCCCCCCC(C)(C)CO.
What is the InChIKey of 2,2,12,12-tetramethyltridecane-1,13-diol?
The InChIKey is HHBDRESHJSXDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-16(2,14-18)12-10-8-6-5-7-9-11-13-17(3,4)15-19/h18-19H,5-15H2,1-4H3.
What are the key properties of 2,2,12,12-tetramethyltridecane-1,13-diol?
2,2,12,12-tetramethyltridecane-1,13-diol has a molecular weight of 272.47 g/mol, XLogP of 4.53, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,12,12-tetramethyltridecane-1,13-diol is sourced from PubChem (CID 11208038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).