1-ethoxy-3,3-dimethylbutane

C8H18O — CID 13316163

IUPAC1-ethoxy-3,3-dimethylbutane
SMILESCCOCCC(C)(C)C
InChIInChI=1S/C8H18O/c1-5-9-7-6-8(2,3)4/h5-7H2,1-4H3
InChIKeySQNRAWDGGCHKFN-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.46
Rot. Bonds3

About 1-ethoxy-3,3-dimethylbutane

1-ethoxy-3,3-dimethylbutane (PubChem CID 13316163) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 1-ethoxy-3,3-dimethylbutane.

Molecular Properties

Compound Name1-ethoxy-3,3-dimethylbutane
PubChem CID13316163
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name1-ethoxy-3,3-dimethylbutane
SMILESCCOCCC(C)(C)C
InChIInChI=1S/C8H18O/c1-5-9-7-6-8(2,3)4/h5-7H2,1-4H3
InChIKeySQNRAWDGGCHKFN-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.46
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

Diisopentyl ether
CID 10989
Bis(2-methylbutyl) ether
CID 4584641
1-Butoxy-3-methylbutane
CID 545578
1-Ethoxy-2,2-bis(ethoxymethyl)butane
CID 20670498
Bis-neopentyl ether
CID 11744897
1,1'-Oxybis(3,3-dimethylbutane)
CID 22662188
3-Methylbutyl propyl ether
CID 21894256
3-Methylbutyl 2-methylpropyl ether
CID 21894302
2-Ethoxy-2,4,4-trimethylpentane
CID 22274771
1-Butoxy-2-methylbutane
CID 545254
Ether, tert-butyl 3,3-dimethylbutyl
CID 546092
Furan, tetrahydro-3,3,4,4-tetramethyl-
CID 21354952

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3,3-dimethylbutane?
The IUPAC name of 1-ethoxy-3,3-dimethylbutane (CID 13316163) is 1-ethoxy-3,3-dimethylbutane.
What is the SMILES notation for 1-ethoxy-3,3-dimethylbutane?
The canonical SMILES for 1-ethoxy-3,3-dimethylbutane is CCOCCC(C)(C)C.
What is the InChIKey of 1-ethoxy-3,3-dimethylbutane?
The InChIKey is SQNRAWDGGCHKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-5-9-7-6-8(2,3)4/h5-7H2,1-4H3.
What are the key properties of 1-ethoxy-3,3-dimethylbutane?
1-ethoxy-3,3-dimethylbutane has a molecular weight of 130.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,3-dimethylbutane is sourced from PubChem (CID 13316163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).