methane;1-methoxy-2,3-dimethylbut-2-ene

C10H26O — CID 163880887

IUPACmethane;1-methoxy-2,3-dimethylbut-2-ene
SMILESC.C.C.COCC(C)=C(C)C
InChIInChI=1S/C7H14O.3CH4/c1-6(2)7(3)5-8-4;;;/h5H2,1-4H3;3*1H4
InChIKeyPTCGRQAHNCZCSG-UHFFFAOYSA-N
MW162.32 g/mol
LogP3.90
Rot. Bonds2

About methane;1-methoxy-2,3-dimethylbut-2-ene

methane;1-methoxy-2,3-dimethylbut-2-ene (PubChem CID 163880887) has the molecular formula C10H26O and a molecular weight of 162.32 g/mol. Its IUPAC name is methane;1-methoxy-2,3-dimethylbut-2-ene.

Molecular Properties

Compound Namemethane;1-methoxy-2,3-dimethylbut-2-ene
PubChem CID163880887
Molecular FormulaC10H26O
Molecular Weight162.32 g/mol
Exact Mass162.20
IUPAC Namemethane;1-methoxy-2,3-dimethylbut-2-ene
SMILESC.C.C.COCC(C)=C(C)C
InChIInChI=1S/C7H14O.3CH4/c1-6(2)7(3)5-8-4;;;/h5H2,1-4H3;3*1H4
InChIKeyPTCGRQAHNCZCSG-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
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;1-methoxy-2,3-dimethylbut-2-ene?
The IUPAC name of methane;1-methoxy-2,3-dimethylbut-2-ene (CID 163880887) is methane;1-methoxy-2,3-dimethylbut-2-ene.
What is the SMILES notation for methane;1-methoxy-2,3-dimethylbut-2-ene?
The canonical SMILES for methane;1-methoxy-2,3-dimethylbut-2-ene is C.C.C.COCC(C)=C(C)C.
What is the InChIKey of methane;1-methoxy-2,3-dimethylbut-2-ene?
The InChIKey is PTCGRQAHNCZCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.3CH4/c1-6(2)7(3)5-8-4;;;/h5H2,1-4H3;3*1H4.
What are the key properties of methane;1-methoxy-2,3-dimethylbut-2-ene?
methane;1-methoxy-2,3-dimethylbut-2-ene has a molecular weight of 162.32 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methoxy-2,3-dimethylbut-2-ene is sourced from PubChem (CID 163880887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).