1-methoxypropane

C4H9O- — CID 91006796

IUPAC1-methoxypropane
SMILES[CH2-]CCOC
InChIInChI=1S/C4H9O/c1-3-4-5-2/h1,3-4H2,2H3/q-1
InChIKeyCXOLCWRRBCYHHH-UHFFFAOYSA-N
MW73.11 g/mol
LogP0.86
Rot. Bonds2

About 1-methoxypropane

1-methoxypropane (PubChem CID 91006796) has the molecular formula C4H9O- and a molecular weight of 73.11 g/mol. Its IUPAC name is 1-methoxypropane.

Molecular Properties

Compound Name1-methoxypropane
PubChem CID91006796
Molecular FormulaC4H9O-
Molecular Weight73.11 g/mol
Exact Mass73.07
IUPAC Name1-methoxypropane
SMILES[CH2-]CCOC
InChIInChI=1S/C4H9O/c1-3-4-5-2/h1,3-4H2,2H3/q-1
InChIKeyCXOLCWRRBCYHHH-UHFFFAOYSA-N
XLogP0.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.11
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Diethyl Ether
CID 3283
Propyl ether
CID 8114
Methoxyethane
CID 10903
Butyl methyl ether
CID 12338
Methyl propyl ether
CID 11182
Ethyl butyl ether
CID 12355
Ether, isobutyl methyl
CID 12250
2-Methoxypropane
CID 11721
Ethyl propyl ether
CID 12340
2-Methoxybutane
CID 23238
1,3-Dimethoxypropane
CID 140180
2,2'-Oxybis((2H5)ethane)
CID 2723765

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropane?
The IUPAC name of 1-methoxypropane (CID 91006796) is 1-methoxypropane.
What is the SMILES notation for 1-methoxypropane?
The canonical SMILES for 1-methoxypropane is [CH2-]CCOC.
What is the InChIKey of 1-methoxypropane?
The InChIKey is CXOLCWRRBCYHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O/c1-3-4-5-2/h1,3-4H2,2H3/q-1.
What are the key properties of 1-methoxypropane?
1-methoxypropane has a molecular weight of 73.11 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropane is sourced from PubChem (CID 91006796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).