2-(butoxymethyl)-3-propan-2-yloxirane

C10H20O2 — CID 174383679

IUPAC2-(butoxymethyl)-3-propan-2-yloxirane
SMILESCCCCOCC1OC1C(C)C
InChIInChI=1S/C10H20O2/c1-4-5-6-11-7-9-10(12-9)8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyGSTICCHBWCZYDO-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds6

About 2-(butoxymethyl)-3-propan-2-yloxirane

2-(butoxymethyl)-3-propan-2-yloxirane (PubChem CID 174383679) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(butoxymethyl)-3-propan-2-yloxirane.

Molecular Properties

Compound Name2-(butoxymethyl)-3-propan-2-yloxirane
PubChem CID174383679
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(butoxymethyl)-3-propan-2-yloxirane
SMILESCCCCOCC1OC1C(C)C
InChIInChI=1S/C10H20O2/c1-4-5-6-11-7-9-10(12-9)8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyGSTICCHBWCZYDO-UHFFFAOYSA-N
XLogP2.23
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)-3-propan-2-yloxirane?
The IUPAC name of 2-(butoxymethyl)-3-propan-2-yloxirane (CID 174383679) is 2-(butoxymethyl)-3-propan-2-yloxirane.
What is the SMILES notation for 2-(butoxymethyl)-3-propan-2-yloxirane?
The canonical SMILES for 2-(butoxymethyl)-3-propan-2-yloxirane is CCCCOCC1OC1C(C)C.
What is the InChIKey of 2-(butoxymethyl)-3-propan-2-yloxirane?
The InChIKey is GSTICCHBWCZYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-6-11-7-9-10(12-9)8(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(butoxymethyl)-3-propan-2-yloxirane?
2-(butoxymethyl)-3-propan-2-yloxirane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)-3-propan-2-yloxirane is sourced from PubChem (CID 174383679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).