2,5,8-trimethylnonan-5-ol

C12H26O — CID 58574498

IUPAC2,5,8-trimethylnonan-5-ol
SMILESCC(C)CCC(C)(O)CCC(C)C
InChIInChI=1S/C12H26O/c1-10(2)6-8-12(5,13)9-7-11(3)4/h10-11,13H,6-9H2,1-5H3
InChIKeyGPXKYGMZPRGDTK-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.61
Rot. Bonds6

About 2,5,8-trimethylnonan-5-ol

2,5,8-trimethylnonan-5-ol (PubChem CID 58574498) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2,5,8-trimethylnonan-5-ol.

Molecular Properties

Compound Name2,5,8-trimethylnonan-5-ol
PubChem CID58574498
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2,5,8-trimethylnonan-5-ol
SMILESCC(C)CCC(C)(O)CCC(C)C
InChIInChI=1S/C12H26O/c1-10(2)6-8-12(5,13)9-7-11(3)4/h10-11,13H,6-9H2,1-5H3
InChIKeyGPXKYGMZPRGDTK-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,8-trimethylnonan-5-ol?
The IUPAC name of 2,5,8-trimethylnonan-5-ol (CID 58574498) is 2,5,8-trimethylnonan-5-ol.
What is the SMILES notation for 2,5,8-trimethylnonan-5-ol?
The canonical SMILES for 2,5,8-trimethylnonan-5-ol is CC(C)CCC(C)(O)CCC(C)C.
What is the InChIKey of 2,5,8-trimethylnonan-5-ol?
The InChIKey is GPXKYGMZPRGDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-10(2)6-8-12(5,13)9-7-11(3)4/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 2,5,8-trimethylnonan-5-ol?
2,5,8-trimethylnonan-5-ol has a molecular weight of 186.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8-trimethylnonan-5-ol is sourced from PubChem (CID 58574498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).