3-(2-hydroxyethoxymethyl)pentan-3-ol

C8H18O3 — CID 22507180

IUPAC3-(2-hydroxyethoxymethyl)pentan-3-ol
SMILESCCC(O)(CC)COCCO
InChIInChI=1S/C8H18O3/c1-3-8(10,4-2)7-11-6-5-9/h9-10H,3-7H2,1-2H3
InChIKeyLTECMBCUJVZDQA-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.55
Rot. Bonds6

About 3-(2-hydroxyethoxymethyl)pentan-3-ol

3-(2-hydroxyethoxymethyl)pentan-3-ol (PubChem CID 22507180) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-(2-hydroxyethoxymethyl)pentan-3-ol.

Molecular Properties

Compound Name3-(2-hydroxyethoxymethyl)pentan-3-ol
PubChem CID22507180
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name3-(2-hydroxyethoxymethyl)pentan-3-ol
SMILESCCC(O)(CC)COCCO
InChIInChI=1S/C8H18O3/c1-3-8(10,4-2)7-11-6-5-9/h9-10H,3-7H2,1-2H3
InChIKeyLTECMBCUJVZDQA-UHFFFAOYSA-N
XLogP0.55
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethoxymethyl)pentan-3-ol?
The IUPAC name of 3-(2-hydroxyethoxymethyl)pentan-3-ol (CID 22507180) is 3-(2-hydroxyethoxymethyl)pentan-3-ol.
What is the SMILES notation for 3-(2-hydroxyethoxymethyl)pentan-3-ol?
The canonical SMILES for 3-(2-hydroxyethoxymethyl)pentan-3-ol is CCC(O)(CC)COCCO.
What is the InChIKey of 3-(2-hydroxyethoxymethyl)pentan-3-ol?
The InChIKey is LTECMBCUJVZDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-3-8(10,4-2)7-11-6-5-9/h9-10H,3-7H2,1-2H3.
What are the key properties of 3-(2-hydroxyethoxymethyl)pentan-3-ol?
3-(2-hydroxyethoxymethyl)pentan-3-ol has a molecular weight of 162.23 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethoxymethyl)pentan-3-ol is sourced from PubChem (CID 22507180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).