2-ethylhexane-1,5-diol

C8H18O2 — CID 12039713

IUPAC2-ethylhexane-1,5-diol
SMILESCCC(CO)CCC(C)O
InChIInChI=1S/C8H18O2/c1-3-8(6-9)5-4-7(2)10/h7-10H,3-6H2,1-2H3
InChIKeyQJZNFTWNCBRRRA-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.17
Rot. Bonds5

About 2-ethylhexane-1,5-diol

2-ethylhexane-1,5-diol (PubChem CID 12039713) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-ethylhexane-1,5-diol.

Molecular Properties

Compound Name2-ethylhexane-1,5-diol
PubChem CID12039713
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-ethylhexane-1,5-diol
SMILESCCC(CO)CCC(C)O
InChIInChI=1S/C8H18O2/c1-3-8(6-9)5-4-7(2)10/h7-10H,3-6H2,1-2H3
InChIKeyQJZNFTWNCBRRRA-UHFFFAOYSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethylhexanol
CID 7720
2-Ethyl-1,3-Hexanediol
CID 7211
4-Methyl-3-heptanol
CID 26989
3-Octanol, 6-ethyl-
CID 140601
5-Ethyl-2-nonanol
CID 7634
3-Methyl-2-heptanol
CID 35784
2-Heptanol, 3,6-dimethyl-
CID 19871663
2,4-Dimethyl-3-heptanol
CID 140545
5-Methyl-2-heptanol
CID 41143
4-Methyl-2-heptanol
CID 143345
3-Methyl-2,4-heptanediol
CID 248872
5-Methylheptan-3-ol
CID 86782

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexane-1,5-diol?
The IUPAC name of 2-ethylhexane-1,5-diol (CID 12039713) is 2-ethylhexane-1,5-diol.
What is the SMILES notation for 2-ethylhexane-1,5-diol?
The canonical SMILES for 2-ethylhexane-1,5-diol is CCC(CO)CCC(C)O.
What is the InChIKey of 2-ethylhexane-1,5-diol?
The InChIKey is QJZNFTWNCBRRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-3-8(6-9)5-4-7(2)10/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-ethylhexane-1,5-diol?
2-ethylhexane-1,5-diol has a molecular weight of 146.23 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexane-1,5-diol is sourced from PubChem (CID 12039713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).