3-(2-hydroxyethoxy)butyl formate

C7H14O4 — CID 88906039

IUPAC3-(2-hydroxyethoxy)butyl formate
SMILESCC(CCOC=O)OCCO
InChIInChI=1S/C7H14O4/c1-7(11-5-3-8)2-4-10-6-9/h6-8H,2-5H2,1H3
InChIKeyMVHYMWFIVSHHNY-UHFFFAOYSA-N
MW162.18 g/mol
LogP-0.05
Rot. Bonds7

About 3-(2-hydroxyethoxy)butyl formate

3-(2-hydroxyethoxy)butyl formate (PubChem CID 88906039) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 3-(2-hydroxyethoxy)butyl formate.

Molecular Properties

Compound Name3-(2-hydroxyethoxy)butyl formate
PubChem CID88906039
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name3-(2-hydroxyethoxy)butyl formate
SMILESCC(CCOC=O)OCCO
InChIInChI=1S/C7H14O4/c1-7(11-5-3-8)2-4-10-6-9/h6-8H,2-5H2,1H3
InChIKeyMVHYMWFIVSHHNY-UHFFFAOYSA-N
XLogP-0.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
(5-formyloxy-3-methylpentyl) formate
CID 91318391
2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol
CID 138577092
2-(6-methylhept-5-en-2-yloxy)ethanol
CID 13214227
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol
CID 89181158
2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate
CID 139655550
1-(4-hydroxybutan-2-yloxy)propan-2-yl formate
CID 158947423
14-(2-hydroxyethoxy)pentadecanoic acid
CID 173440000
2-(2-hydroxyethoxy)ethyl formate
CID 23448310
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
propan-1-ol;propyl formate
CID 19366236

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethoxy)butyl formate?
The IUPAC name of 3-(2-hydroxyethoxy)butyl formate (CID 88906039) is 3-(2-hydroxyethoxy)butyl formate.
What is the SMILES notation for 3-(2-hydroxyethoxy)butyl formate?
The canonical SMILES for 3-(2-hydroxyethoxy)butyl formate is CC(CCOC=O)OCCO.
What is the InChIKey of 3-(2-hydroxyethoxy)butyl formate?
The InChIKey is MVHYMWFIVSHHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-7(11-5-3-8)2-4-10-6-9/h6-8H,2-5H2,1H3.
What are the key properties of 3-(2-hydroxyethoxy)butyl formate?
3-(2-hydroxyethoxy)butyl formate has a molecular weight of 162.18 g/mol, XLogP of -0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethoxy)butyl formate is sourced from PubChem (CID 88906039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).