3-ethylpentane-1,3,5-triol

C7H16O3 — CID 23158892

IUPAC3-ethylpentane-1,3,5-triol
SMILESCCC(O)(CCO)CCO
InChIInChI=1S/C7H16O3/c1-2-7(10,3-5-8)4-6-9/h8-10H,2-6H2,1H3
InChIKeySXIAEVJVKVDTHG-UHFFFAOYSA-N
MW148.20 g/mol
LogP-0.11
Rot. Bonds5

About 3-ethylpentane-1,3,5-triol

3-ethylpentane-1,3,5-triol (PubChem CID 23158892) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 3-ethylpentane-1,3,5-triol.

Molecular Properties

Compound Name3-ethylpentane-1,3,5-triol
PubChem CID23158892
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name3-ethylpentane-1,3,5-triol
SMILESCCC(O)(CCO)CCO
InChIInChI=1S/C7H16O3/c1-2-7(10,3-5-8)4-6-9/h8-10H,2-6H2,1H3
InChIKeySXIAEVJVKVDTHG-UHFFFAOYSA-N
XLogP-0.11
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpentane-1,3,5-triol?
The IUPAC name of 3-ethylpentane-1,3,5-triol (CID 23158892) is 3-ethylpentane-1,3,5-triol.
What is the SMILES notation for 3-ethylpentane-1,3,5-triol?
The canonical SMILES for 3-ethylpentane-1,3,5-triol is CCC(O)(CCO)CCO.
What is the InChIKey of 3-ethylpentane-1,3,5-triol?
The InChIKey is SXIAEVJVKVDTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-2-7(10,3-5-8)4-6-9/h8-10H,2-6H2,1H3.
What are the key properties of 3-ethylpentane-1,3,5-triol?
3-ethylpentane-1,3,5-triol has a molecular weight of 148.20 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentane-1,3,5-triol is sourced from PubChem (CID 23158892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).