2-butyl-3-[2-(oxiran-2-yl)ethyl]oxirane

C10H18O2 — CID 91516929

IUPAC2-butyl-3-[2-(oxiran-2-yl)ethyl]oxirane
SMILESCCCCC1OC1CCC1CO1
InChIInChI=1S/C10H18O2/c1-2-3-4-9-10(12-9)6-5-8-7-11-8/h8-10H,2-7H2,1H3
InChIKeySHAFMTBXBYVRDS-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.12
Rot. Bonds6

About 2-butyl-3-[2-(oxiran-2-yl)ethyl]oxirane

2-butyl-3-[2-(oxiran-2-yl)ethyl]oxirane (PubChem CID 91516929) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-butyl-3-[2-(oxiran-2-yl)ethyl]oxirane.

Molecular Properties

Compound Name2-butyl-3-[2-(oxiran-2-yl)ethyl]oxirane
PubChem CID91516929
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-butyl-3-[2-(oxiran-2-yl)ethyl]oxirane
SMILESCCCCC1OC1CCC1CO1
InChIInChI=1S/C10H18O2/c1-2-3-4-9-10(12-9)6-5-8-7-11-8/h8-10H,2-7H2,1H3
InChIKeySHAFMTBXBYVRDS-UHFFFAOYSA-N
XLogP2.12
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[2-(oxiran-2-yl)ethyl]oxirane?
The IUPAC name of 2-butyl-3-[2-(oxiran-2-yl)ethyl]oxirane (CID 91516929) is 2-butyl-3-[2-(oxiran-2-yl)ethyl]oxirane.
What is the SMILES notation for 2-butyl-3-[2-(oxiran-2-yl)ethyl]oxirane?
The canonical SMILES for 2-butyl-3-[2-(oxiran-2-yl)ethyl]oxirane is CCCCC1OC1CCC1CO1.
What is the InChIKey of 2-butyl-3-[2-(oxiran-2-yl)ethyl]oxirane?
The InChIKey is SHAFMTBXBYVRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-4-9-10(12-9)6-5-8-7-11-8/h8-10H,2-7H2,1H3.
What are the key properties of 2-butyl-3-[2-(oxiran-2-yl)ethyl]oxirane?
2-butyl-3-[2-(oxiran-2-yl)ethyl]oxirane has a molecular weight of 170.25 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[2-(oxiran-2-yl)ethyl]oxirane is sourced from PubChem (CID 91516929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).