2,5-diethyloctane-1,2-diol

C12H26O2 — CID 87744729

IUPAC2,5-diethyloctane-1,2-diol
SMILESCCCC(CC)CCC(O)(CC)CO
InChIInChI=1S/C12H26O2/c1-4-7-11(5-2)8-9-12(14,6-3)10-13/h11,13-14H,4-10H2,1-3H3
InChIKeyGMFXVMJOUGNMMI-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.73
Rot. Bonds8

About 2,5-diethyloctane-1,2-diol

2,5-diethyloctane-1,2-diol (PubChem CID 87744729) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2,5-diethyloctane-1,2-diol.

Molecular Properties

Compound Name2,5-diethyloctane-1,2-diol
PubChem CID87744729
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2,5-diethyloctane-1,2-diol
SMILESCCCC(CC)CCC(O)(CC)CO
InChIInChI=1S/C12H26O2/c1-4-7-11(5-2)8-9-12(14,6-3)10-13/h11,13-14H,4-10H2,1-3H3
InChIKeyGMFXVMJOUGNMMI-UHFFFAOYSA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyloctane-1,2-diol?
The IUPAC name of 2,5-diethyloctane-1,2-diol (CID 87744729) is 2,5-diethyloctane-1,2-diol.
What is the SMILES notation for 2,5-diethyloctane-1,2-diol?
The canonical SMILES for 2,5-diethyloctane-1,2-diol is CCCC(CC)CCC(O)(CC)CO.
What is the InChIKey of 2,5-diethyloctane-1,2-diol?
The InChIKey is GMFXVMJOUGNMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-4-7-11(5-2)8-9-12(14,6-3)10-13/h11,13-14H,4-10H2,1-3H3.
What are the key properties of 2,5-diethyloctane-1,2-diol?
2,5-diethyloctane-1,2-diol has a molecular weight of 202.34 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyloctane-1,2-diol is sourced from PubChem (CID 87744729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).