2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol

C9H20O3 — CID 90222237

IUPAC2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol
SMILESCCC(CO)C(CCO)CCO
InChIInChI=1S/C9H20O3/c1-2-8(7-12)9(3-5-10)4-6-11/h8-12H,2-7H2,1H3
InChIKeyBDSCDJPFCPXTTP-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.39
Rot. Bonds7

About 2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol

2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol (PubChem CID 90222237) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol.

Molecular Properties

Compound Name2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol
PubChem CID90222237
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol
SMILESCCC(CO)C(CCO)CCO
InChIInChI=1S/C9H20O3/c1-2-8(7-12)9(3-5-10)4-6-11/h8-12H,2-7H2,1H3
InChIKeyBDSCDJPFCPXTTP-UHFFFAOYSA-N
XLogP0.39
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-heptacosan-14-ylbutane-1,4-diol
CID 89333214
4-ethylhexane-1,3-diol
CID 57229845
2-(hydroxymethyl)butane-1,1,4-triol
CID 87270153
3-amino-4-ethylhexan-1-ol
CID 17039430
ethane-1,2-diol;2-ethylhexane-1,3-diol;propane
CID 174469450
(4S,6S,7R)-3-ethyl-4-(2-hydroxyethyl)octane-1,6,7-triol
CID 173122486
(2S,3S)-2-ethylbutane-1,3-diol
CID 87152899
2-fluoro-3-(hydroxymethyl)pentane-1,5-diol
CID 19812553
(2R,3R)-2-ethylbutane-1,3-diol
CID 130733536
2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol
CID 159063171
(2R,3R)-3-amino-2-ethylhexan-1-ol
CID 11126400
2-pentan-2-ylpropane-1,3-diol;2-pentan-3-ylpropane-1,3-diol
CID 174400202

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol?
The IUPAC name of 2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol (CID 90222237) is 2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol.
What is the SMILES notation for 2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol?
The canonical SMILES for 2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol is CCC(CO)C(CCO)CCO.
What is the InChIKey of 2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol?
The InChIKey is BDSCDJPFCPXTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-2-8(7-12)9(3-5-10)4-6-11/h8-12H,2-7H2,1H3.
What are the key properties of 2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol?
2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol has a molecular weight of 176.26 g/mol, XLogP of 0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol is sourced from PubChem (CID 90222237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).