methanol;1-methoxy-2-methylprop-1-ene

C6H14O2 — CID 54391701

IUPACmethanol;1-methoxy-2-methylprop-1-ene
SMILESCO.COC=C(C)C
InChIInChI=1S/C5H10O.CH4O/c1-5(2)4-6-3;1-2/h4H,1-3H3;2H,1H3
InChIKeyVHBSVOFZYSOSJR-UHFFFAOYSA-N
MW118.18 g/mol
LogP1.16
Rot. Bonds1

About methanol;1-methoxy-2-methylprop-1-ene

methanol;1-methoxy-2-methylprop-1-ene (PubChem CID 54391701) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is methanol;1-methoxy-2-methylprop-1-ene.

Molecular Properties

Compound Namemethanol;1-methoxy-2-methylprop-1-ene
PubChem CID54391701
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Namemethanol;1-methoxy-2-methylprop-1-ene
SMILESCO.COC=C(C)C
InChIInChI=1S/C5H10O.CH4O/c1-5(2)4-6-3;1-2/h4H,1-3H3;2H,1H3
InChIKeyVHBSVOFZYSOSJR-UHFFFAOYSA-N
XLogP1.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 51.16
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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Frequently Asked Questions

What is the IUPAC name of methanol;1-methoxy-2-methylprop-1-ene?
The IUPAC name of methanol;1-methoxy-2-methylprop-1-ene (CID 54391701) is methanol;1-methoxy-2-methylprop-1-ene.
What is the SMILES notation for methanol;1-methoxy-2-methylprop-1-ene?
The canonical SMILES for methanol;1-methoxy-2-methylprop-1-ene is CO.COC=C(C)C.
What is the InChIKey of methanol;1-methoxy-2-methylprop-1-ene?
The InChIKey is VHBSVOFZYSOSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.CH4O/c1-5(2)4-6-3;1-2/h4H,1-3H3;2H,1H3.
What are the key properties of methanol;1-methoxy-2-methylprop-1-ene?
methanol;1-methoxy-2-methylprop-1-ene has a molecular weight of 118.18 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-methoxy-2-methylprop-1-ene is sourced from PubChem (CID 54391701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).