2,9-dimethyl-2,9-dipropyldecane-1,10-diol

C18H38O2 — CID 3069680

IUPAC2,9-dimethyl-2,9-dipropyldecane-1,10-diol
SMILESCCCC(C)(CO)CCCCCCC(C)(CO)CCC
InChIInChI=1S/C18H38O2/c1-5-11-17(3,15-19)13-9-7-8-10-14-18(4,16-20)12-6-2/h19-20H,5-16H2,1-4H3
InChIKeyJEFKIPKXHPCULJ-UHFFFAOYSA-N
MW286.50 g/mol
LogP4.92
Rot. Bonds13

About 2,9-dimethyl-2,9-dipropyldecane-1,10-diol

2,9-dimethyl-2,9-dipropyldecane-1,10-diol (PubChem CID 3069680) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 2,9-dimethyl-2,9-dipropyldecane-1,10-diol.

Molecular Properties

Compound Name2,9-dimethyl-2,9-dipropyldecane-1,10-diol
PubChem CID3069680
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name2,9-dimethyl-2,9-dipropyldecane-1,10-diol
SMILESCCCC(C)(CO)CCCCCCC(C)(CO)CCC
InChIInChI=1S/C18H38O2/c1-5-11-17(3,15-19)13-9-7-8-10-14-18(4,16-20)12-6-2/h19-20H,5-16H2,1-4H3
InChIKeyJEFKIPKXHPCULJ-UHFFFAOYSA-N
XLogP4.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 54.92
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 2,9-dimethyl-2,9-dipropyldecane-1,10-diol?
The IUPAC name of 2,9-dimethyl-2,9-dipropyldecane-1,10-diol (CID 3069680) is 2,9-dimethyl-2,9-dipropyldecane-1,10-diol.
What is the SMILES notation for 2,9-dimethyl-2,9-dipropyldecane-1,10-diol?
The canonical SMILES for 2,9-dimethyl-2,9-dipropyldecane-1,10-diol is CCCC(C)(CO)CCCCCCC(C)(CO)CCC.
What is the InChIKey of 2,9-dimethyl-2,9-dipropyldecane-1,10-diol?
The InChIKey is JEFKIPKXHPCULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-5-11-17(3,15-19)13-9-7-8-10-14-18(4,16-20)12-6-2/h19-20H,5-16H2,1-4H3.
What are the key properties of 2,9-dimethyl-2,9-dipropyldecane-1,10-diol?
2,9-dimethyl-2,9-dipropyldecane-1,10-diol has a molecular weight of 286.50 g/mol, XLogP of 4.92, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-2,9-dipropyldecane-1,10-diol is sourced from PubChem (CID 3069680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).