2,4-diethyloctane-1,4-diol

C12H26O2 — CID 87744704

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

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

2,4-diethyloctane-1,4-diol (PubChem CID 87744704) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2,4-diethyloctane-1,4-diol.

Molecular Properties

Compound Name2,4-diethyloctane-1,4-diol
PubChem CID87744704
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2,4-diethyloctane-1,4-diol
SMILESCCCCC(O)(CC)CC(CC)CO
InChIInChI=1S/C12H26O2/c1-4-7-8-12(14,6-3)9-11(5-2)10-13/h11,13-14H,4-10H2,1-3H3
InChIKeyQVJZHOFVGVDNIK-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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Related Compounds

3,5-diethyloctane-1,5-diol
CID 87743708
4,6-diethylnonan-4-ol
CID 123321409
3,5-diethylheptan-3-ol
CID 82929105
5-ethylnonane-1,5-diol
CID 87121663
9-ethylheptadecan-9-ol
CID 86166082
2-ethyltridecane-1,2-diol
CID 88923996
2-ethylbutan-1-ol;3-methylhexan-2-ol;4-methyloctan-4-ol
CID 18968497
1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164
2-butyltetradecane-1,2-diol
CID 88924076
2-ethylhexan-1-ol;hydron
CID 175010288
2-ethylhexan-1-ol;iron
CID 22477032
2,5-diethyloctane-1,2-diol
CID 87744729

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyloctane-1,4-diol?
The IUPAC name of 2,4-diethyloctane-1,4-diol (CID 87744704) is 2,4-diethyloctane-1,4-diol.
What is the SMILES notation for 2,4-diethyloctane-1,4-diol?
The canonical SMILES for 2,4-diethyloctane-1,4-diol is CCCCC(O)(CC)CC(CC)CO.
What is the InChIKey of 2,4-diethyloctane-1,4-diol?
The InChIKey is QVJZHOFVGVDNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-4-7-8-12(14,6-3)9-11(5-2)10-13/h11,13-14H,4-10H2,1-3H3.
What are the key properties of 2,4-diethyloctane-1,4-diol?
2,4-diethyloctane-1,4-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 2,4-diethyloctane-1,4-diol is sourced from PubChem (CID 87744704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).