2-(butoxymethyl)oxirane;oxonane

C15H30O3 — CID 20569142

IUPAC2-(butoxymethyl)oxirane;oxonane
SMILESC1CCCCOCCC1.CCCCOCC1CO1
InChIInChI=1S/C8H16O.C7H14O2/c1-2-4-6-8-9-7-5-3-1;1-2-3-4-8-5-7-6-9-7/h1-8H2;7H,2-6H2,1H3
InChIKeyQTMVFSGIKUOHLG-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.56
Rot. Bonds5

About 2-(butoxymethyl)oxirane;oxonane

2-(butoxymethyl)oxirane;oxonane (PubChem CID 20569142) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 2-(butoxymethyl)oxirane;oxonane.

Molecular Properties

Compound Name2-(butoxymethyl)oxirane;oxonane
PubChem CID20569142
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name2-(butoxymethyl)oxirane;oxonane
SMILESC1CCCCOCCC1.CCCCOCC1CO1
InChIInChI=1S/C8H16O.C7H14O2/c1-2-4-6-8-9-7-5-3-1;1-2-3-4-8-5-7-6-9-7/h1-8H2;7H,2-6H2,1H3
InChIKeyQTMVFSGIKUOHLG-UHFFFAOYSA-N
XLogP3.56
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

CID 166063430
CID 166063430
2-(pentoxymethyl)oxirane
CID 160890113
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
1-butoxybutane;oxane
CID 22595543
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038

Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)oxirane;oxonane?
The IUPAC name of 2-(butoxymethyl)oxirane;oxonane (CID 20569142) is 2-(butoxymethyl)oxirane;oxonane.
What is the SMILES notation for 2-(butoxymethyl)oxirane;oxonane?
The canonical SMILES for 2-(butoxymethyl)oxirane;oxonane is C1CCCCOCCC1.CCCCOCC1CO1.
What is the InChIKey of 2-(butoxymethyl)oxirane;oxonane?
The InChIKey is QTMVFSGIKUOHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C7H14O2/c1-2-4-6-8-9-7-5-3-1;1-2-3-4-8-5-7-6-9-7/h1-8H2;7H,2-6H2,1H3.
What are the key properties of 2-(butoxymethyl)oxirane;oxonane?
2-(butoxymethyl)oxirane;oxonane has a molecular weight of 258.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)oxirane;oxonane is sourced from PubChem (CID 20569142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).