1-methoxy-2-(2-methoxypropoxy)propane;bis(prop-1-ene)

C14H30O3 — CID 87825364

IUPAC1-methoxy-2-(2-methoxypropoxy)propane;bis(prop-1-ene)
SMILESC=CC.C=CC.COCC(C)OCC(C)OC
InChIInChI=1S/C8H18O3.2C3H6/c1-7(10-4)6-11-8(2)5-9-3;2*1-3-2/h7-8H,5-6H2,1-4H3;2*3H,1H2,2H3
InChIKeyYUDSADSMPQEFHZ-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.46
Rot. Bonds6

About 1-methoxy-2-(2-methoxypropoxy)propane;bis(prop-1-ene)

1-methoxy-2-(2-methoxypropoxy)propane;bis(prop-1-ene) (PubChem CID 87825364) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-methoxy-2-(2-methoxypropoxy)propane;bis(prop-1-ene).

Molecular Properties

Compound Name1-methoxy-2-(2-methoxypropoxy)propane;bis(prop-1-ene)
PubChem CID87825364
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name1-methoxy-2-(2-methoxypropoxy)propane;bis(prop-1-ene)
SMILESC=CC.C=CC.COCC(C)OCC(C)OC
InChIInChI=1S/C8H18O3.2C3H6/c1-7(10-4)6-11-8(2)5-9-3;2*1-3-2/h7-8H,5-6H2,1-4H3;2*3H,1H2,2H3
InChIKeyYUDSADSMPQEFHZ-UHFFFAOYSA-N
XLogP3.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-methoxypropoxy)propane;bis(prop-1-ene)?
The IUPAC name of 1-methoxy-2-(2-methoxypropoxy)propane;bis(prop-1-ene) (CID 87825364) is 1-methoxy-2-(2-methoxypropoxy)propane;bis(prop-1-ene).
What is the SMILES notation for 1-methoxy-2-(2-methoxypropoxy)propane;bis(prop-1-ene)?
The canonical SMILES for 1-methoxy-2-(2-methoxypropoxy)propane;bis(prop-1-ene) is C=CC.C=CC.COCC(C)OCC(C)OC.
What is the InChIKey of 1-methoxy-2-(2-methoxypropoxy)propane;bis(prop-1-ene)?
The InChIKey is YUDSADSMPQEFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3.2C3H6/c1-7(10-4)6-11-8(2)5-9-3;2*1-3-2/h7-8H,5-6H2,1-4H3;2*3H,1H2,2H3.
What are the key properties of 1-methoxy-2-(2-methoxypropoxy)propane;bis(prop-1-ene)?
1-methoxy-2-(2-methoxypropoxy)propane;bis(prop-1-ene) has a molecular weight of 246.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-methoxypropoxy)propane;bis(prop-1-ene) is sourced from PubChem (CID 87825364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).