4-ethyloctane-1,3-diol

C10H22O2 — CID 57022453

IUPAC4-ethyloctane-1,3-diol
SMILESCCCCC(CC)C(O)CCO
InChIInChI=1S/C10H22O2/c1-3-5-6-9(4-2)10(12)7-8-11/h9-12H,3-8H2,1-2H3
InChIKeyPSLQXKVLHHZPLW-UHFFFAOYSA-N
MW174.28 g/mol
LogP1.95
Rot. Bonds7

About 4-ethyloctane-1,3-diol

4-ethyloctane-1,3-diol (PubChem CID 57022453) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 4-ethyloctane-1,3-diol.

Molecular Properties

Compound Name4-ethyloctane-1,3-diol
PubChem CID57022453
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name4-ethyloctane-1,3-diol
SMILESCCCCC(CC)C(O)CCO
InChIInChI=1S/C10H22O2/c1-3-5-6-9(4-2)10(12)7-8-11/h9-12H,3-8H2,1-2H3
InChIKeyPSLQXKVLHHZPLW-UHFFFAOYSA-N
XLogP1.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethylnonadecane-1,3-diol
CID 57082750
4-ethylhexane-1,3-diol
CID 57229845
5,7-diethylundecan-6-ol
CID 89253066
3-butylnonane-1,4-diol
CID 87416344
7-ethylpentadecan-8-ol
CID 91407819
6-ethyloctadecan-7-ol
CID 22321194
7-ethyl-2-methylundecan-6-ol
CID 115829942
4-ethylnonan-3-ol
CID 135150430
5-butylnonan-4-ol
CID 173066814
1-cyclopropyl-3-ethylheptan-2-ol
CID 115804014
2-butylhexane-1,3-diol
CID 18522832
5-ethylpentadecane-6,7-diol
CID 123906465

Frequently Asked Questions

What is the IUPAC name of 4-ethyloctane-1,3-diol?
The IUPAC name of 4-ethyloctane-1,3-diol (CID 57022453) is 4-ethyloctane-1,3-diol.
What is the SMILES notation for 4-ethyloctane-1,3-diol?
The canonical SMILES for 4-ethyloctane-1,3-diol is CCCCC(CC)C(O)CCO.
What is the InChIKey of 4-ethyloctane-1,3-diol?
The InChIKey is PSLQXKVLHHZPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-3-5-6-9(4-2)10(12)7-8-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 4-ethyloctane-1,3-diol?
4-ethyloctane-1,3-diol has a molecular weight of 174.28 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloctane-1,3-diol is sourced from PubChem (CID 57022453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).