2-(2-but-1-enoxyethyl)-2-(5-prop-1-enoxypentyl)oxirane

C16H28O3 — CID 173357257

IUPAC2-(2-but-1-enoxyethyl)-2-(5-prop-1-enoxypentyl)oxirane
SMILESCC=COCCCCCC1(CCOC=CCC)CO1
InChIInChI=1S/C16H28O3/c1-3-5-12-18-14-10-16(15-19-16)9-7-6-8-13-17-11-4-2/h4-5,11-12H,3,6-10,13-15H2,1-2H3
InChIKeyHXVOHSQILARSQS-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.20
Rot. Bonds12

About 2-(2-but-1-enoxyethyl)-2-(5-prop-1-enoxypentyl)oxirane

2-(2-but-1-enoxyethyl)-2-(5-prop-1-enoxypentyl)oxirane (PubChem CID 173357257) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(2-but-1-enoxyethyl)-2-(5-prop-1-enoxypentyl)oxirane.

Molecular Properties

Compound Name2-(2-but-1-enoxyethyl)-2-(5-prop-1-enoxypentyl)oxirane
PubChem CID173357257
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name2-(2-but-1-enoxyethyl)-2-(5-prop-1-enoxypentyl)oxirane
SMILESCC=COCCCCCC1(CCOC=CCC)CO1
InChIInChI=1S/C16H28O3/c1-3-5-12-18-14-10-16(15-19-16)9-7-6-8-13-17-11-4-2/h4-5,11-12H,3,6-10,13-15H2,1-2H3
InChIKeyHXVOHSQILARSQS-UHFFFAOYSA-N
XLogP4.20
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(2-Prop-1-enoxyethyl)-2-propyloxirane
CID 54292674
2-(2-But-1-enoxyethyl)-2-butyl-3-(prop-1-enoxymethyl)oxirane
CID 88464098
1-But-1-enoxy-4-methyl-4-propoxytridecane
CID 151534100
tributyl-[(E,3S)-4-[(2R,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]-2-methyloxiran-2-yl]-3-methylbut-1-enyl]stannane
CID 177566936

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-1-enoxyethyl)-2-(5-prop-1-enoxypentyl)oxirane?
The IUPAC name of 2-(2-but-1-enoxyethyl)-2-(5-prop-1-enoxypentyl)oxirane (CID 173357257) is 2-(2-but-1-enoxyethyl)-2-(5-prop-1-enoxypentyl)oxirane.
What is the SMILES notation for 2-(2-but-1-enoxyethyl)-2-(5-prop-1-enoxypentyl)oxirane?
The canonical SMILES for 2-(2-but-1-enoxyethyl)-2-(5-prop-1-enoxypentyl)oxirane is CC=COCCCCCC1(CCOC=CCC)CO1.
What is the InChIKey of 2-(2-but-1-enoxyethyl)-2-(5-prop-1-enoxypentyl)oxirane?
The InChIKey is HXVOHSQILARSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-3-5-12-18-14-10-16(15-19-16)9-7-6-8-13-17-11-4-2/h4-5,11-12H,3,6-10,13-15H2,1-2H3.
What are the key properties of 2-(2-but-1-enoxyethyl)-2-(5-prop-1-enoxypentyl)oxirane?
2-(2-but-1-enoxyethyl)-2-(5-prop-1-enoxypentyl)oxirane has a molecular weight of 268.40 g/mol, XLogP of 4.20, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-1-enoxyethyl)-2-(5-prop-1-enoxypentyl)oxirane is sourced from PubChem (CID 173357257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).