methane;methanol;3-methylbut-1-ene;2-methylpropane

C11H28O — CID 160799549

IUPACmethane;methanol;3-methylbut-1-ene;2-methylpropane
SMILESC.C=CC(C)C.CC(C)C.CO
InChIInChI=1S/C5H10.C4H10.CH4O.CH4/c1-4-5(2)3;1-4(2)3;1-2;/h4-5H,1H2,2-3H3;4H,1-3H3;2H,1H3;1H4
InChIKeySCWTZHLKIXKXGM-UHFFFAOYSA-N
MW176.34 g/mol
LogP3.74
Rot. Bonds1

About methane;methanol;3-methylbut-1-ene;2-methylpropane

methane;methanol;3-methylbut-1-ene;2-methylpropane (PubChem CID 160799549) has the molecular formula C11H28O and a molecular weight of 176.34 g/mol. Its IUPAC name is methane;methanol;3-methylbut-1-ene;2-methylpropane.

Molecular Properties

Compound Namemethane;methanol;3-methylbut-1-ene;2-methylpropane
PubChem CID160799549
Molecular FormulaC11H28O
Molecular Weight176.34 g/mol
Exact Mass176.21
IUPAC Namemethane;methanol;3-methylbut-1-ene;2-methylpropane
SMILESC.C=CC(C)C.CC(C)C.CO
InChIInChI=1S/C5H10.C4H10.CH4O.CH4/c1-4-5(2)3;1-4(2)3;1-2;/h4-5H,1H2,2-3H3;4H,1-3H3;2H,1H3;1H4
InChIKeySCWTZHLKIXKXGM-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;methanol;3-methylbut-1-ene;2-methylpropane?
The IUPAC name of methane;methanol;3-methylbut-1-ene;2-methylpropane (CID 160799549) is methane;methanol;3-methylbut-1-ene;2-methylpropane.
What is the SMILES notation for methane;methanol;3-methylbut-1-ene;2-methylpropane?
The canonical SMILES for methane;methanol;3-methylbut-1-ene;2-methylpropane is C.C=CC(C)C.CC(C)C.CO.
What is the InChIKey of methane;methanol;3-methylbut-1-ene;2-methylpropane?
The InChIKey is SCWTZHLKIXKXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H10.CH4O.CH4/c1-4-5(2)3;1-4(2)3;1-2;/h4-5H,1H2,2-3H3;4H,1-3H3;2H,1H3;1H4.
What are the key properties of methane;methanol;3-methylbut-1-ene;2-methylpropane?
methane;methanol;3-methylbut-1-ene;2-methylpropane has a molecular weight of 176.34 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanol;3-methylbut-1-ene;2-methylpropane is sourced from PubChem (CID 160799549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).