2-butoxy-2,4,4-trimethylpentane

C12H26O — CID 86174215

IUPAC2-butoxy-2,4,4-trimethylpentane
SMILESCCCCOC(C)(C)CC(C)(C)C
InChIInChI=1S/C12H26O/c1-7-8-9-13-12(5,6)10-11(2,3)4/h7-10H2,1-6H3
InChIKeyJVLYCQPURZKIPY-UHFFFAOYSA-N
MW186.34 g/mol
LogP4.02
Rot. Bonds5

About 2-butoxy-2,4,4-trimethylpentane

2-butoxy-2,4,4-trimethylpentane (PubChem CID 86174215) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-butoxy-2,4,4-trimethylpentane.

Molecular Properties

Compound Name2-butoxy-2,4,4-trimethylpentane
PubChem CID86174215
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2-butoxy-2,4,4-trimethylpentane
SMILESCCCCOC(C)(C)CC(C)(C)C
InChIInChI=1S/C12H26O/c1-7-8-9-13-12(5,6)10-11(2,3)4/h7-10H2,1-6H3
InChIKeyJVLYCQPURZKIPY-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.02
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-(2,2-Dimethylpropyl)-2-methyloxirane
CID 95410
2-Methoxy-2,4,4-trimethylpentane
CID 552215
Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl-
CID 92734
Furan, tetrahydro-2,2,4,4-tetramethyl-
CID 137904
1,1'-Oxybis(3,3-dimethylbutane)
CID 22662188
Butyl 1,1-dimethylpropyl ether
CID 520577
2-Ethoxy-2,4,4-trimethylpentane
CID 22274771
Ether, tert-butyl 3,3-dimethylbutyl
CID 546092
2-Methyl-2-(2-methylpentan-2-yloxy)pentane
CID 12430073
2-Ethoxy-2-methylpentane
CID 22000984
1-(2,2-Dimethylbutoxy)-2,2-dimethylbutane
CID 17885937
Methyl-isobutyl-ather
CID 19768872

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-2,4,4-trimethylpentane?
The IUPAC name of 2-butoxy-2,4,4-trimethylpentane (CID 86174215) is 2-butoxy-2,4,4-trimethylpentane.
What is the SMILES notation for 2-butoxy-2,4,4-trimethylpentane?
The canonical SMILES for 2-butoxy-2,4,4-trimethylpentane is CCCCOC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-butoxy-2,4,4-trimethylpentane?
The InChIKey is JVLYCQPURZKIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-7-8-9-13-12(5,6)10-11(2,3)4/h7-10H2,1-6H3.
What are the key properties of 2-butoxy-2,4,4-trimethylpentane?
2-butoxy-2,4,4-trimethylpentane has a molecular weight of 186.34 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-2,4,4-trimethylpentane is sourced from PubChem (CID 86174215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).