2-butoxy-2,3-dimethylbutane

C10H22O — CID 137333493

IUPAC2-butoxy-2,3-dimethylbutane
SMILESCCCCOC(C)(C)C(C)C
InChIInChI=1S/C10H22O/c1-6-7-8-11-10(4,5)9(2)3/h9H,6-8H2,1-5H3
InChIKeyDLCDMBCLMBZHES-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds5

About 2-butoxy-2,3-dimethylbutane

2-butoxy-2,3-dimethylbutane (PubChem CID 137333493) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2-butoxy-2,3-dimethylbutane.

Molecular Properties

Compound Name2-butoxy-2,3-dimethylbutane
PubChem CID137333493
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2-butoxy-2,3-dimethylbutane
SMILESCCCCOC(C)(C)C(C)C
InChIInChI=1S/C10H22O/c1-6-7-8-11-10(4,5)9(2)3/h9H,6-8H2,1-5H3
InChIKeyDLCDMBCLMBZHES-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
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-2,3-dimethylbutane?
The IUPAC name of 2-butoxy-2,3-dimethylbutane (CID 137333493) is 2-butoxy-2,3-dimethylbutane.
What is the SMILES notation for 2-butoxy-2,3-dimethylbutane?
The canonical SMILES for 2-butoxy-2,3-dimethylbutane is CCCCOC(C)(C)C(C)C.
What is the InChIKey of 2-butoxy-2,3-dimethylbutane?
The InChIKey is DLCDMBCLMBZHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-6-7-8-11-10(4,5)9(2)3/h9H,6-8H2,1-5H3.
What are the key properties of 2-butoxy-2,3-dimethylbutane?
2-butoxy-2,3-dimethylbutane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-2,3-dimethylbutane is sourced from PubChem (CID 137333493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).