2-methylprop-1-ene;1-propoxypropane

C10H22O — CID 143578147

IUPAC2-methylprop-1-ene;1-propoxypropane
SMILESC=C(C)C.CCCOCCC
InChIInChI=1S/C6H14O.C4H8/c1-3-5-7-6-4-2;1-4(2)3/h3-6H2,1-2H3;1H2,2-3H3
InChIKeyFOSJLIAOOXXNHO-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.41
Rot. Bonds4

About 2-methylprop-1-ene;1-propoxypropane

2-methylprop-1-ene;1-propoxypropane (PubChem CID 143578147) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2-methylprop-1-ene;1-propoxypropane.

Molecular Properties

Compound Name2-methylprop-1-ene;1-propoxypropane
PubChem CID143578147
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2-methylprop-1-ene;1-propoxypropane
SMILESC=C(C)C.CCCOCCC
InChIInChI=1S/C6H14O.C4H8/c1-3-5-7-6-4-2;1-4(2)3/h3-6H2,1-2H3;1H2,2-3H3
InChIKeyFOSJLIAOOXXNHO-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.41
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

Dimethallyl ether
CID 136448
2-Methyl-1-(2-methylpropoxy)prop-1-ene
CID 244341
Isopentenyl ether
CID 22034429
Butane, 1-[(2-methyl-2-propenyl)oxy]-
CID 545778
2-Methyl-4-propoxybut-1-ene
CID 10749205
4-Butoxy-2-methylbut-1-ene
CID 12422923
1-(2-Methylprop-1-enoxy)butane
CID 12512191
Ethoxyethane;2-methylprop-1-ene
CID 19913928
2,2-Dimethyl-1-(2-methylprop-1-enoxy)propane
CID 22234825
Methoxyethane;2-methylprop-1-ene
CID 53937621
Methoxyethane;2-methoxyprop-1-ene;2-methylprop-1-ene
CID 54499924
2-Methyl-1-(2-methylprop-2-enoxy)propane
CID 85837301

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene;1-propoxypropane?
The IUPAC name of 2-methylprop-1-ene;1-propoxypropane (CID 143578147) is 2-methylprop-1-ene;1-propoxypropane.
What is the SMILES notation for 2-methylprop-1-ene;1-propoxypropane?
The canonical SMILES for 2-methylprop-1-ene;1-propoxypropane is C=C(C)C.CCCOCCC.
What is the InChIKey of 2-methylprop-1-ene;1-propoxypropane?
The InChIKey is FOSJLIAOOXXNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C4H8/c1-3-5-7-6-4-2;1-4(2)3/h3-6H2,1-2H3;1H2,2-3H3.
What are the key properties of 2-methylprop-1-ene;1-propoxypropane?
2-methylprop-1-ene;1-propoxypropane has a molecular weight of 158.28 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;1-propoxypropane is sourced from PubChem (CID 143578147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).