2-butoxy-3-methylpentane

C10H22O — CID 54405656

IUPAC2-butoxy-3-methylpentane
SMILESCCCCOC(C)C(C)CC
InChIInChI=1S/C10H22O/c1-5-7-8-11-10(4)9(3)6-2/h9-10H,5-8H2,1-4H3
InChIKeyLUSZHLLEPZSAAJ-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds6

About 2-butoxy-3-methylpentane

2-butoxy-3-methylpentane (PubChem CID 54405656) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2-butoxy-3-methylpentane.

Molecular Properties

Compound Name2-butoxy-3-methylpentane
PubChem CID54405656
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2-butoxy-3-methylpentane
SMILESCCCCOC(C)C(C)CC
InChIInChI=1S/C10H22O/c1-5-7-8-11-10(4)9(3)6-2/h9-10H,5-8H2,1-4H3
InChIKeyLUSZHLLEPZSAAJ-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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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Related Compounds

2-Methoxy-4-methylpentane
CID 17820196
Iso-pentoxypentane
CID 20082127
3-Methylbutyl 1-methylethyl ether
CID 21894216
1,1-Dimethylethyl 3-methylbutyl ether
CID 21894291
2,3,4-Trimethyloxetane
CID 40893
(2-Ethyl-1-butyl) ether
CID 524831
1,1-Dimethylpropyl 3-methylbutyl ether
CID 12460096
Diathylather
CID 13272235
Methyl-2,2-dimethylethyl ether
CID 13843577
sek.-Butylather
CID 18335282
Methyl-isobutyl-ather
CID 19768872
4-Di-i-propylather
CID 19768894

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-3-methylpentane?
The IUPAC name of 2-butoxy-3-methylpentane (CID 54405656) is 2-butoxy-3-methylpentane.
What is the SMILES notation for 2-butoxy-3-methylpentane?
The canonical SMILES for 2-butoxy-3-methylpentane is CCCCOC(C)C(C)CC.
What is the InChIKey of 2-butoxy-3-methylpentane?
The InChIKey is LUSZHLLEPZSAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-5-7-8-11-10(4)9(3)6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-butoxy-3-methylpentane?
2-butoxy-3-methylpentane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-3-methylpentane is sourced from PubChem (CID 54405656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).