7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene

C17H34O4 — CID 162392591

IUPAC7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene
SMILESCCCOCOC=CCCCCC(OCCC)OCCC
InChIInChI=1S/C17H34O4/c1-4-12-18-16-19-15-10-8-7-9-11-17(20-13-5-2)21-14-6-3/h10,15,17H,4-9,11-14,16H2,1-3H3
InChIKeyIQKOXAODPQRDAQ-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.64
Rot. Bonds16

About 7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene

7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene (PubChem CID 162392591) has the molecular formula C17H34O4 and a molecular weight of 302.46 g/mol. Its IUPAC name is 7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene.

Molecular Properties

Compound Name7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene
PubChem CID162392591
Molecular FormulaC17H34O4
Molecular Weight302.46 g/mol
Exact Mass302.25
IUPAC Name7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene
SMILESCCCOCOC=CCCCCC(OCCC)OCCC
InChIInChI=1S/C17H34O4/c1-4-12-18-16-19-15-10-8-7-9-11-17(20-13-5-2)21-14-6-3/h10,15,17H,4-9,11-14,16H2,1-3H3
InChIKeyIQKOXAODPQRDAQ-UHFFFAOYSA-N
XLogP4.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene
CID 163205523
14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene
CID 163205475
1-(decoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163206012
12,12-diheptoxy-1-(hexoxymethoxy)dodec-1-ene
CID 163205820
12,12-dihexoxy-1-(nonoxymethoxy)dodec-1-ene
CID 163205535
12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene
CID 163205685
7,7-diethoxy-1-(hexoxymethoxy)hept-1-ene
CID 162392678
1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163205565
1-[7-(ethoxymethoxy)-1-octoxyhept-6-enoxy]octane
CID 162392537
1-(5,5-dipropoxypent-1-enoxymethoxy)octane
CID 162392746
14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene
CID 163205951
1,9,9-tripropoxynon-2-ene
CID 54274162

Frequently Asked Questions

What is the IUPAC name of 7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene?
The IUPAC name of 7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene (CID 162392591) is 7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene.
What is the SMILES notation for 7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene?
The canonical SMILES for 7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene is CCCOCOC=CCCCCC(OCCC)OCCC.
What is the InChIKey of 7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene?
The InChIKey is IQKOXAODPQRDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4/c1-4-12-18-16-19-15-10-8-7-9-11-17(20-13-5-2)21-14-6-3/h10,15,17H,4-9,11-14,16H2,1-3H3.
What are the key properties of 7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene?
7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene has a molecular weight of 302.46 g/mol, XLogP of 4.64, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene is sourced from PubChem (CID 162392591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).