2-[2-(butoxymethyl)pentyl]oxirane

C12H24O2 — CID 91516262

IUPAC2-[2-(butoxymethyl)pentyl]oxirane
SMILESCCCCOCC(CCC)CC1CO1
InChIInChI=1S/C12H24O2/c1-3-5-7-13-9-11(6-4-2)8-12-10-14-12/h11-12H,3-10H2,1-2H3
InChIKeyDUMFHDIVPQRKAP-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.01
Rot. Bonds9

About 2-[2-(butoxymethyl)pentyl]oxirane

2-[2-(butoxymethyl)pentyl]oxirane (PubChem CID 91516262) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-[2-(butoxymethyl)pentyl]oxirane.

Molecular Properties

Compound Name2-[2-(butoxymethyl)pentyl]oxirane
PubChem CID91516262
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-[2-(butoxymethyl)pentyl]oxirane
SMILESCCCCOCC(CCC)CC1CO1
InChIInChI=1S/C12H24O2/c1-3-5-7-13-9-11(6-4-2)8-12-10-14-12/h11-12H,3-10H2,1-2H3
InChIKeyDUMFHDIVPQRKAP-UHFFFAOYSA-N
XLogP3.01
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.01
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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Related Compounds

2-[2-(oxiran-2-ylmethyl)pentyl]oxirane;hydrate
CID 87791870
2-[[4-hexadecoxy-3-(hexadecoxymethyl)butoxy]methyl]oxirane
CID 101085223
4-(butoxymethyl)nonane
CID 87066766
2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane
CID 174658525
2-(3-propylheptoxymethyl)oxirane
CID 169085823
2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane
CID 87215006
CID 166063430
CID 166063430
2-(2-methylhexyl)oxirane
CID 91241308
2-(2-ethylhexadecyl)oxirane
CID 174869726
(2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane
CID 36688279
methoxy-[2-(oxiran-2-ylmethyl)pentyl]silane
CID 175050932
10-(butoxymethyl)henicosane
CID 87840055

Frequently Asked Questions

What is the IUPAC name of 2-[2-(butoxymethyl)pentyl]oxirane?
The IUPAC name of 2-[2-(butoxymethyl)pentyl]oxirane (CID 91516262) is 2-[2-(butoxymethyl)pentyl]oxirane.
What is the SMILES notation for 2-[2-(butoxymethyl)pentyl]oxirane?
The canonical SMILES for 2-[2-(butoxymethyl)pentyl]oxirane is CCCCOCC(CCC)CC1CO1.
What is the InChIKey of 2-[2-(butoxymethyl)pentyl]oxirane?
The InChIKey is DUMFHDIVPQRKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-5-7-13-9-11(6-4-2)8-12-10-14-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-[2-(butoxymethyl)pentyl]oxirane?
2-[2-(butoxymethyl)pentyl]oxirane has a molecular weight of 200.32 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(butoxymethyl)pentyl]oxirane is sourced from PubChem (CID 91516262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).