2,4-diethyloctane-1,3-diol

C12H26O2 — CID 22481119

IUPAC2,4-diethyloctane-1,3-diol
SMILESCCCCC(CC)C(O)C(CC)CO
InChIInChI=1S/C12H26O2/c1-4-7-8-10(5-2)12(14)11(6-3)9-13/h10-14H,4-9H2,1-3H3
InChIKeyCCNSVURUCGIWPV-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.58
Rot. Bonds8

About 2,4-diethyloctane-1,3-diol

2,4-diethyloctane-1,3-diol (PubChem CID 22481119) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2,4-diethyloctane-1,3-diol.

Molecular Properties

Compound Name2,4-diethyloctane-1,3-diol
PubChem CID22481119
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2,4-diethyloctane-1,3-diol
SMILESCCCCC(CC)C(O)C(CC)CO
InChIInChI=1S/C12H26O2/c1-4-7-8-10(5-2)12(14)11(6-3)9-13/h10-14H,4-9H2,1-3H3
InChIKeyCCNSVURUCGIWPV-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyloctane-1,3-diol?
The IUPAC name of 2,4-diethyloctane-1,3-diol (CID 22481119) is 2,4-diethyloctane-1,3-diol.
What is the SMILES notation for 2,4-diethyloctane-1,3-diol?
The canonical SMILES for 2,4-diethyloctane-1,3-diol is CCCCC(CC)C(O)C(CC)CO.
What is the InChIKey of 2,4-diethyloctane-1,3-diol?
The InChIKey is CCNSVURUCGIWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-4-7-8-10(5-2)12(14)11(6-3)9-13/h10-14H,4-9H2,1-3H3.
What are the key properties of 2,4-diethyloctane-1,3-diol?
2,4-diethyloctane-1,3-diol has a molecular weight of 202.34 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyloctane-1,3-diol is sourced from PubChem (CID 22481119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).