2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol

C17H36O2 — CID 91435713

IUPAC2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol
SMILESCC(C)(C)CC(C)(C)C(O)C(C)(C)CC(C)(C)CO
InChIInChI=1S/C17H36O2/c1-14(2,3)10-16(6,7)13(19)17(8,9)11-15(4,5)12-18/h13,18-19H,10-12H2,1-9H3
InChIKeyJOERJAPTAMBVNS-UHFFFAOYSA-N
MW272.47 g/mol
LogP4.24
Rot. Bonds6

About 2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol

2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol (PubChem CID 91435713) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol
PubChem CID91435713
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol
SMILESCC(C)(C)CC(C)(C)C(O)C(C)(C)CC(C)(C)CO
InChIInChI=1S/C17H36O2/c1-14(2,3)10-16(6,7)13(19)17(8,9)11-15(4,5)12-18/h13,18-19H,10-12H2,1-9H3
InChIKeyJOERJAPTAMBVNS-UHFFFAOYSA-N
XLogP4.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol?
The IUPAC name of 2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol (CID 91435713) is 2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol.
What is the SMILES notation for 2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol?
The canonical SMILES for 2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol is CC(C)(C)CC(C)(C)C(O)C(C)(C)CC(C)(C)CO.
What is the InChIKey of 2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol?
The InChIKey is JOERJAPTAMBVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-14(2,3)10-16(6,7)13(19)17(8,9)11-15(4,5)12-18/h13,18-19H,10-12H2,1-9H3.
What are the key properties of 2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol?
2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol has a molecular weight of 272.47 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol is sourced from PubChem (CID 91435713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).