9,9-dihexoxy-1-(methoxymethoxy)non-1-ene

C23H46O4 — CID 162392647

IUPAC9,9-dihexoxy-1-(methoxymethoxy)non-1-ene
SMILESCCCCCCOC(CCCCCCC=COCOC)OCCCCCC
InChIInChI=1S/C23H46O4/c1-4-6-8-16-20-26-23(27-21-17-9-7-5-2)18-14-12-10-11-13-15-19-25-22-24-3/h15,19,23H,4-14,16-18,20-22H2,1-3H3
InChIKeyHRQQAZDNRZXBIK-UHFFFAOYSA-N
MW386.62 g/mol
LogP6.98
Rot. Bonds22

About 9,9-dihexoxy-1-(methoxymethoxy)non-1-ene

9,9-dihexoxy-1-(methoxymethoxy)non-1-ene (PubChem CID 162392647) has the molecular formula C23H46O4 and a molecular weight of 386.62 g/mol. Its IUPAC name is 9,9-dihexoxy-1-(methoxymethoxy)non-1-ene.

Molecular Properties

Compound Name9,9-dihexoxy-1-(methoxymethoxy)non-1-ene
PubChem CID162392647
Molecular FormulaC23H46O4
Molecular Weight386.62 g/mol
Exact Mass386.34
IUPAC Name9,9-dihexoxy-1-(methoxymethoxy)non-1-ene
SMILESCCCCCCOC(CCCCCCC=COCOC)OCCCCCC
InChIInChI=1S/C23H46O4/c1-4-6-8-16-20-26-23(27-21-17-9-7-5-2)18-14-12-10-11-13-15-19-25-22-24-3/h15,19,23H,4-14,16-18,20-22H2,1-3H3
InChIKeyHRQQAZDNRZXBIK-UHFFFAOYSA-N
XLogP6.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 56.98
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
11,11-diheptoxy-1-(methoxymethoxy)undec-1-ene
CID 162392525
1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene
CID 163205855
7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene
CID 162392753
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
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 9,9-dihexoxy-1-(methoxymethoxy)non-1-ene?
The IUPAC name of 9,9-dihexoxy-1-(methoxymethoxy)non-1-ene (CID 162392647) is 9,9-dihexoxy-1-(methoxymethoxy)non-1-ene.
What is the SMILES notation for 9,9-dihexoxy-1-(methoxymethoxy)non-1-ene?
The canonical SMILES for 9,9-dihexoxy-1-(methoxymethoxy)non-1-ene is CCCCCCOC(CCCCCCC=COCOC)OCCCCCC.
What is the InChIKey of 9,9-dihexoxy-1-(methoxymethoxy)non-1-ene?
The InChIKey is HRQQAZDNRZXBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O4/c1-4-6-8-16-20-26-23(27-21-17-9-7-5-2)18-14-12-10-11-13-15-19-25-22-24-3/h15,19,23H,4-14,16-18,20-22H2,1-3H3.
What are the key properties of 9,9-dihexoxy-1-(methoxymethoxy)non-1-ene?
9,9-dihexoxy-1-(methoxymethoxy)non-1-ene has a molecular weight of 386.62 g/mol, XLogP of 6.98, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dihexoxy-1-(methoxymethoxy)non-1-ene is sourced from PubChem (CID 162392647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).