1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene

C37H74O4 — CID 163205855

IUPAC1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene
SMILESCCCCCCCCCOC(CCCCCCCCCCCCCCC=COCOC)OCCCCCCCCC
InChIInChI=1S/C37H74O4/c1-4-6-8-10-21-26-30-34-40-37(41-35-31-27-22-11-9-7-5-2)32-28-24-20-18-16-14-12-13-15-17-19-23-25-29-33-39-36-38-3/h29,33,37H,4-28,30-32,34-36H2,1-3H3
InChIKeyZUAIXWXSRRBDRS-UHFFFAOYSA-N
MW583.00 g/mol
LogP12.44
Rot. Bonds36

About 1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene

1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene (PubChem CID 163205855) has the molecular formula C37H74O4 and a molecular weight of 583.00 g/mol. Its IUPAC name is 1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene.

Molecular Properties

Compound Name1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene
PubChem CID163205855
Molecular FormulaC37H74O4
Molecular Weight583.00 g/mol
Exact Mass582.56
IUPAC Name1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene
SMILESCCCCCCCCCOC(CCCCCCCCCCCCCCC=COCOC)OCCCCCCCCC
InChIInChI=1S/C37H74O4/c1-4-6-8-10-21-26-30-34-40-37(41-35-31-27-22-11-9-7-5-2)32-28-24-20-18-16-14-12-13-15-17-19-23-25-29-33-39-36-38-3/h29,33,37H,4-28,30-32,34-36H2,1-3H3
InChIKeyZUAIXWXSRRBDRS-UHFFFAOYSA-N
XLogP12.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds36
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.00
LogP ≤ 512.44
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

1-[7-(methoxymethoxy)-1-nonoxyhept-6-enoxy]nonane
CID 162392344
7,7-diheptoxy-1-(methoxymethoxy)hept-1-ene
CID 162392781
9,9-dihexoxy-1-(methoxymethoxy)non-1-ene
CID 162392647
11,11-diheptoxy-1-(methoxymethoxy)undec-1-ene
CID 162392525
7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene
CID 162392753
12,12-diheptoxy-1-(hexoxymethoxy)dodec-1-ene
CID 163205820
1-(decoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163206012
12,12-dihexoxy-1-(nonoxymethoxy)dodec-1-ene
CID 163205535
14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene
CID 163205523
1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163205565
1-[7-(ethoxymethoxy)-1-octoxyhept-6-enoxy]octane
CID 162392537
11,11-diethoxy-1-(methoxymethoxy)undec-1-ene
CID 162392533

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene?
The IUPAC name of 1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene (CID 163205855) is 1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene.
What is the SMILES notation for 1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene?
The canonical SMILES for 1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene is CCCCCCCCCOC(CCCCCCCCCCCCCCC=COCOC)OCCCCCCCCC.
What is the InChIKey of 1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene?
The InChIKey is ZUAIXWXSRRBDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74O4/c1-4-6-8-10-21-26-30-34-40-37(41-35-31-27-22-11-9-7-5-2)32-28-24-20-18-16-14-12-13-15-17-19-23-25-29-33-39-36-38-3/h29,33,37H,4-28,30-32,34-36H2,1-3H3.
What are the key properties of 1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene?
1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene has a molecular weight of 583.00 g/mol, XLogP of 12.44, 36 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene is sourced from PubChem (CID 163205855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).