3-[(3-butoxy-3-methylpentoxy)methyl]-3-methyloxetane

C15H30O3 — CID 71227895

IUPAC3-[(3-butoxy-3-methylpentoxy)methyl]-3-methyloxetane
SMILESCCCCOC(C)(CC)CCOCC1(C)COC1
InChIInChI=1S/C15H30O3/c1-5-7-9-18-15(4,6-2)8-10-16-11-14(3)12-17-13-14/h5-13H2,1-4H3
InChIKeyAYBJCZRCFTZLOF-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.41
Rot. Bonds10

About 3-[(3-butoxy-3-methylpentoxy)methyl]-3-methyloxetane

3-[(3-butoxy-3-methylpentoxy)methyl]-3-methyloxetane (PubChem CID 71227895) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 3-[(3-butoxy-3-methylpentoxy)methyl]-3-methyloxetane.

Molecular Properties

Compound Name3-[(3-butoxy-3-methylpentoxy)methyl]-3-methyloxetane
PubChem CID71227895
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name3-[(3-butoxy-3-methylpentoxy)methyl]-3-methyloxetane
SMILESCCCCOC(C)(CC)CCOCC1(C)COC1
InChIInChI=1S/C15H30O3/c1-5-7-9-18-15(4,6-2)8-10-16-11-14(3)12-17-13-14/h5-13H2,1-4H3
InChIKeyAYBJCZRCFTZLOF-UHFFFAOYSA-N
XLogP3.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-butoxy-3-methylpentoxy)methyl]-3-methyloxetane?
The IUPAC name of 3-[(3-butoxy-3-methylpentoxy)methyl]-3-methyloxetane (CID 71227895) is 3-[(3-butoxy-3-methylpentoxy)methyl]-3-methyloxetane.
What is the SMILES notation for 3-[(3-butoxy-3-methylpentoxy)methyl]-3-methyloxetane?
The canonical SMILES for 3-[(3-butoxy-3-methylpentoxy)methyl]-3-methyloxetane is CCCCOC(C)(CC)CCOCC1(C)COC1.
What is the InChIKey of 3-[(3-butoxy-3-methylpentoxy)methyl]-3-methyloxetane?
The InChIKey is AYBJCZRCFTZLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-5-7-9-18-15(4,6-2)8-10-16-11-14(3)12-17-13-14/h5-13H2,1-4H3.
What are the key properties of 3-[(3-butoxy-3-methylpentoxy)methyl]-3-methyloxetane?
3-[(3-butoxy-3-methylpentoxy)methyl]-3-methyloxetane has a molecular weight of 258.40 g/mol, XLogP of 3.41, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-butoxy-3-methylpentoxy)methyl]-3-methyloxetane is sourced from PubChem (CID 71227895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).