2-butoxy-2-methylpentane

C10H22O — CID 90688023

IUPAC2-butoxy-2-methylpentane
SMILESCCCCOC(C)(C)CCC
InChIInChI=1S/C10H22O/c1-5-7-9-11-10(3,4)8-6-2/h5-9H2,1-4H3
InChIKeyITMBUZYUMSYKPI-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.38
Rot. Bonds6

About 2-butoxy-2-methylpentane

2-butoxy-2-methylpentane (PubChem CID 90688023) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2-butoxy-2-methylpentane.

Molecular Properties

Compound Name2-butoxy-2-methylpentane
PubChem CID90688023
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2-butoxy-2-methylpentane
SMILESCCCCOC(C)(C)CCC
InChIInChI=1S/C10H22O/c1-5-7-9-11-10(3,4)8-6-2/h5-9H2,1-4H3
InChIKeyITMBUZYUMSYKPI-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-butoxy-2-methylpentane?
The IUPAC name of 2-butoxy-2-methylpentane (CID 90688023) is 2-butoxy-2-methylpentane.
What is the SMILES notation for 2-butoxy-2-methylpentane?
The canonical SMILES for 2-butoxy-2-methylpentane is CCCCOC(C)(C)CCC.
What is the InChIKey of 2-butoxy-2-methylpentane?
The InChIKey is ITMBUZYUMSYKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-5-7-9-11-10(3,4)8-6-2/h5-9H2,1-4H3.
What are the key properties of 2-butoxy-2-methylpentane?
2-butoxy-2-methylpentane has a molecular weight of 158.28 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-2-methylpentane is sourced from PubChem (CID 90688023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).