3-(3-methoxypropoxy)penta-1,4-diene

C9H16O2 — CID 88561870

IUPAC3-(3-methoxypropoxy)penta-1,4-diene
SMILESC=CC(C=C)OCCCOC
InChIInChI=1S/C9H16O2/c1-4-9(5-2)11-8-6-7-10-3/h4-5,9H,1-2,6-8H2,3H3
InChIKeyUTLKMAFPMOJIBF-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.78
Rot. Bonds7

About 3-(3-methoxypropoxy)penta-1,4-diene

3-(3-methoxypropoxy)penta-1,4-diene (PubChem CID 88561870) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)penta-1,4-diene.

Molecular Properties

Compound Name3-(3-methoxypropoxy)penta-1,4-diene
PubChem CID88561870
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-(3-methoxypropoxy)penta-1,4-diene
SMILESC=CC(C=C)OCCCOC
InChIInChI=1S/C9H16O2/c1-4-9(5-2)11-8-6-7-10-3/h4-5,9H,1-2,6-8H2,3H3
InChIKeyUTLKMAFPMOJIBF-UHFFFAOYSA-N
XLogP1.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.78
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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Related Compounds

1-ethenoxy-3-methoxypropane
CID 22058891
1-(difluoromethoxy)-3-methoxypropane
CID 59224265
4-(6-methoxyhexoxy)hepta-1,6-diene
CID 88561855
6-methoxyhex-1-en-3-ol
CID 105108568
1-(2-ethenoxyethoxy)-3-methoxypropane
CID 103177352
1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-(3-methoxypropoxy)-2,2-dimethylpropane-1,3-diol;prop-2-enoic acid
CID 175711628
3-[tris(3-methoxypropoxy)methyl]undec-1-ene
CID 151233994
ethenol;ethyl(trimethyl)azanium;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-ol;chloride
CID 162047734
1-[3-(3-methoxypropoxy)propoxy]propan-1-ol
CID 23620031
2-(3-methoxypropoxy)-3-methylbutanoic acid
CID 60918161

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxy)penta-1,4-diene?
The IUPAC name of 3-(3-methoxypropoxy)penta-1,4-diene (CID 88561870) is 3-(3-methoxypropoxy)penta-1,4-diene.
What is the SMILES notation for 3-(3-methoxypropoxy)penta-1,4-diene?
The canonical SMILES for 3-(3-methoxypropoxy)penta-1,4-diene is C=CC(C=C)OCCCOC.
What is the InChIKey of 3-(3-methoxypropoxy)penta-1,4-diene?
The InChIKey is UTLKMAFPMOJIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(5-2)11-8-6-7-10-3/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of 3-(3-methoxypropoxy)penta-1,4-diene?
3-(3-methoxypropoxy)penta-1,4-diene has a molecular weight of 156.22 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)penta-1,4-diene is sourced from PubChem (CID 88561870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).