1-methoxy-3-prop-2-enoxypropane

C7H14O2 — CID 13445100

IUPAC1-methoxy-3-prop-2-enoxypropane
SMILESC=CCOCCCOC
InChIInChI=1S/C7H14O2/c1-3-5-9-7-4-6-8-2/h3H,1,4-7H2,2H3
InChIKeyZFWXZDHGJPWMAN-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.23
Rot. Bonds6

About 1-methoxy-3-prop-2-enoxypropane

1-methoxy-3-prop-2-enoxypropane (PubChem CID 13445100) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-methoxy-3-prop-2-enoxypropane.

Molecular Properties

Compound Name1-methoxy-3-prop-2-enoxypropane
PubChem CID13445100
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name1-methoxy-3-prop-2-enoxypropane
SMILESC=CCOCCCOC
InChIInChI=1S/C7H14O2/c1-3-5-9-7-4-6-8-2/h3H,1,4-7H2,2H3
InChIKeyZFWXZDHGJPWMAN-UHFFFAOYSA-N
XLogP1.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-prop-2-enoxypropane?
The IUPAC name of 1-methoxy-3-prop-2-enoxypropane (CID 13445100) is 1-methoxy-3-prop-2-enoxypropane.
What is the SMILES notation for 1-methoxy-3-prop-2-enoxypropane?
The canonical SMILES for 1-methoxy-3-prop-2-enoxypropane is C=CCOCCCOC.
What is the InChIKey of 1-methoxy-3-prop-2-enoxypropane?
The InChIKey is ZFWXZDHGJPWMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-5-9-7-4-6-8-2/h3H,1,4-7H2,2H3.
What are the key properties of 1-methoxy-3-prop-2-enoxypropane?
1-methoxy-3-prop-2-enoxypropane has a molecular weight of 130.19 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-prop-2-enoxypropane is sourced from PubChem (CID 13445100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).