7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene

C21H42O4 — CID 162392753

IUPAC7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene
SMILESCCCCCCOC(CCCCC=COCOC)OCCCCCC
InChIInChI=1S/C21H42O4/c1-4-6-8-14-18-24-21(25-19-15-9-7-5-2)16-12-10-11-13-17-23-20-22-3/h13,17,21H,4-12,14-16,18-20H2,1-3H3
InChIKeyZZLUQWIUUWGJCJ-UHFFFAOYSA-N
MW358.56 g/mol
LogP6.20
Rot. Bonds20

About 7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene

7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene (PubChem CID 162392753) has the molecular formula C21H42O4 and a molecular weight of 358.56 g/mol. Its IUPAC name is 7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene.

Molecular Properties

Compound Name7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene
PubChem CID162392753
Molecular FormulaC21H42O4
Molecular Weight358.56 g/mol
Exact Mass358.31
IUPAC Name7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene
SMILESCCCCCCOC(CCCCC=COCOC)OCCCCCC
InChIInChI=1S/C21H42O4/c1-4-6-8-14-18-24-21(25-19-15-9-7-5-2)16-12-10-11-13-17-23-20-22-3/h13,17,21H,4-12,14-16,18-20H2,1-3H3
InChIKeyZZLUQWIUUWGJCJ-UHFFFAOYSA-N
XLogP6.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.56
LogP ≤ 56.20
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
1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene
CID 163205855
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
1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163205565
14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene
CID 163205523
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 7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene?
The IUPAC name of 7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene (CID 162392753) is 7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene.
What is the SMILES notation for 7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene?
The canonical SMILES for 7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene is CCCCCCOC(CCCCC=COCOC)OCCCCCC.
What is the InChIKey of 7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene?
The InChIKey is ZZLUQWIUUWGJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O4/c1-4-6-8-14-18-24-21(25-19-15-9-7-5-2)16-12-10-11-13-17-23-20-22-3/h13,17,21H,4-12,14-16,18-20H2,1-3H3.
What are the key properties of 7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene?
7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene has a molecular weight of 358.56 g/mol, XLogP of 6.20, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene is sourced from PubChem (CID 162392753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).