1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene

C12H22O3 — CID 141057914

IUPAC1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene
SMILESCCCOC=CCOCC=COCCC
InChIInChI=1S/C12H22O3/c1-3-7-13-9-5-11-15-12-6-10-14-8-4-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3
InChIKeyDTANBBQWCMLVRX-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.88
Rot. Bonds10

About 1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene

1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene (PubChem CID 141057914) has the molecular formula C12H22O3 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene.

Molecular Properties

Compound Name1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene
PubChem CID141057914
Molecular FormulaC12H22O3
Molecular Weight214.31 g/mol
Exact Mass214.16
IUPAC Name1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene
SMILESCCCOC=CCOCC=COCCC
InChIInChI=1S/C12H22O3/c1-3-7-13-9-5-11-15-12-6-10-14-8-4-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3
InChIKeyDTANBBQWCMLVRX-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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(E)-1-propoxypent-1-en-3-yne
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CID 15357022
1,4-bis[(E)-but-1-enoxy]butane
CID 22051874
1-[(E)-but-1-enoxy]heptane
CID 5366295
(E)-3-(3-butoxypropoxy)prop-2-en-1-amine
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CID 173319235

Frequently Asked Questions

What is the IUPAC name of 1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene?
The IUPAC name of 1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene (CID 141057914) is 1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene.
What is the SMILES notation for 1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene?
The canonical SMILES for 1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene is CCCOC=CCOCC=COCCC.
What is the InChIKey of 1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene?
The InChIKey is DTANBBQWCMLVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-7-13-9-5-11-15-12-6-10-14-8-4-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene?
1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene has a molecular weight of 214.31 g/mol, XLogP of 2.88, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene is sourced from PubChem (CID 141057914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).