methane;1-prop-2-enoxypropane

C8H20O — CID 157267338

IUPACmethane;1-prop-2-enoxypropane
SMILESC.C.C=CCOCCC
InChIInChI=1S/C6H12O.2CH4/c1-3-5-7-6-4-2;;/h3H,1,4-6H2,2H3;2*1H4
InChIKeyAYDMIWCUBXQHJT-UHFFFAOYSA-N
MW132.25 g/mol
LogP2.87
Rot. Bonds4

About methane;1-prop-2-enoxypropane

methane;1-prop-2-enoxypropane (PubChem CID 157267338) has the molecular formula C8H20O and a molecular weight of 132.25 g/mol. Its IUPAC name is methane;1-prop-2-enoxypropane.

Molecular Properties

Compound Namemethane;1-prop-2-enoxypropane
PubChem CID157267338
Molecular FormulaC8H20O
Molecular Weight132.25 g/mol
Exact Mass132.15
IUPAC Namemethane;1-prop-2-enoxypropane
SMILESC.C.C=CCOCCC
InChIInChI=1S/C6H12O.2CH4/c1-3-5-7-6-4-2;;/h3H,1,4-6H2,2H3;2*1H4
InChIKeyAYDMIWCUBXQHJT-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;1-prop-2-enoxypropane
CID 87450499
1-prop-2-enoxypentane;zirconium
CID 175164581
ethene;1-prop-2-enoxypentane;hydrate
CID 174881313
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
propan-1-amine;3-prop-2-enoxyprop-1-ene
CID 88606342
oxirene;1-prop-2-enoxypentane
CID 175269271
formic acid;1-prop-2-enoxypentane
CID 174234349
3-prop-2-enoxy-1-propoxybutane
CID 173418975
ethenamine;3-prop-2-enoxyprop-1-ene
CID 174942640
1-ethoxypropane;methane
CID 158784820
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947
prop-2-enyl 2-propoxyethyl sulfate
CID 87060829

Frequently Asked Questions

What is the IUPAC name of methane;1-prop-2-enoxypropane?
The IUPAC name of methane;1-prop-2-enoxypropane (CID 157267338) is methane;1-prop-2-enoxypropane.
What is the SMILES notation for methane;1-prop-2-enoxypropane?
The canonical SMILES for methane;1-prop-2-enoxypropane is C.C.C=CCOCCC.
What is the InChIKey of methane;1-prop-2-enoxypropane?
The InChIKey is AYDMIWCUBXQHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.2CH4/c1-3-5-7-6-4-2;;/h3H,1,4-6H2,2H3;2*1H4.
What are the key properties of methane;1-prop-2-enoxypropane?
methane;1-prop-2-enoxypropane has a molecular weight of 132.25 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-prop-2-enoxypropane is sourced from PubChem (CID 157267338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).