1-ethenoxy-2-methylpropane;methanol

C7H16O2 — CID 174857186

IUPAC1-ethenoxy-2-methylpropane;methanol
SMILESC=COCC(C)C.CO
InChIInChI=1S/C6H12O.CH4O/c1-4-7-5-6(2)3;1-2/h4,6H,1,5H2,2-3H3;2H,1H3
InChIKeySCLKYXIWEDTLSO-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.41
Rot. Bonds3

About 1-ethenoxy-2-methylpropane;methanol

1-ethenoxy-2-methylpropane;methanol (PubChem CID 174857186) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 1-ethenoxy-2-methylpropane;methanol.

Molecular Properties

Compound Name1-ethenoxy-2-methylpropane;methanol
PubChem CID174857186
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name1-ethenoxy-2-methylpropane;methanol
SMILESC=COCC(C)C.CO
InChIInChI=1S/C6H12O.CH4O/c1-4-7-5-6(2)3;1-2/h4,6H,1,5H2,2-3H3;2H,1H3
InChIKeySCLKYXIWEDTLSO-UHFFFAOYSA-N
XLogP1.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(oxiran-2-yl)propan-2-one;1-ethenoxy-2-methylpropane
CID 160868467
ethenoxycyclohexane;1-ethenoxy-2-methylpropane
CID 67845694
1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174399004
4-ethenoxy-3-methyl-2-methylidenebutanoic acid
CID 123882993
2-(2-ethenoxyethoxy)propyl acetate
CID 139969470
N-(2-methylpropoxy)ethenamine
CID 57072177
bis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate
CID 69119506
2-amino-3-ethenoxypropan-1-ol
CID 175161838
1-ethenoxy-4-methylpentane
CID 22665202
ethenoxyethane;propane-1,2-diol
CID 87233318
1-methoxypropan-2-ol;tris(prop-1-ene)
CID 162146240
2-(2-ethenoxyethoxy)propane
CID 14510947

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-methylpropane;methanol?
The IUPAC name of 1-ethenoxy-2-methylpropane;methanol (CID 174857186) is 1-ethenoxy-2-methylpropane;methanol.
What is the SMILES notation for 1-ethenoxy-2-methylpropane;methanol?
The canonical SMILES for 1-ethenoxy-2-methylpropane;methanol is C=COCC(C)C.CO.
What is the InChIKey of 1-ethenoxy-2-methylpropane;methanol?
The InChIKey is SCLKYXIWEDTLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.CH4O/c1-4-7-5-6(2)3;1-2/h4,6H,1,5H2,2-3H3;2H,1H3.
What are the key properties of 1-ethenoxy-2-methylpropane;methanol?
1-ethenoxy-2-methylpropane;methanol has a molecular weight of 132.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-methylpropane;methanol is sourced from PubChem (CID 174857186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).