17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene

C21H42O4 — CID 163205994

IUPAC17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene
SMILESCOCOC=CCCCCCCCCCCCCCCC(OC)OC
InChIInChI=1S/C21H42O4/c1-22-20-25-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21(23-2)24-3/h17,19,21H,4-16,18,20H2,1-3H3
InChIKeyFRAXNVZMDQDPBZ-UHFFFAOYSA-N
MW358.56 g/mol
LogP6.20
Rot. Bonds20

About 17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene

17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene (PubChem CID 163205994) has the molecular formula C21H42O4 and a molecular weight of 358.56 g/mol. Its IUPAC name is 17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene.

Molecular Properties

Compound Name17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene
PubChem CID163205994
Molecular FormulaC21H42O4
Molecular Weight358.56 g/mol
Exact Mass358.31
IUPAC Name17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene
SMILESCOCOC=CCCCCCCCCCCCCCCC(OC)OC
InChIInChI=1S/C21H42O4/c1-22-20-25-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21(23-2)24-3/h17,19,21H,4-16,18,20H2,1-3H3
InChIKeyFRAXNVZMDQDPBZ-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

11,11-diethoxy-1-(methoxymethoxy)undec-1-ene
CID 162392533
12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene
CID 163205685
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
7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene
CID 162392753
1-(methoxymethoxy)hexadec-1-ene
CID 175225374
(Z)-16,16-dimethoxyhexadec-7-ene
CID 6438015
1-chloro-11,11-dimethoxyundec-4-ene
CID 165174939
(E)-1-iodo-15,15-dimethoxypentadec-3-ene
CID 163205538

Frequently Asked Questions

What is the IUPAC name of 17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene?
The IUPAC name of 17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene (CID 163205994) is 17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene.
What is the SMILES notation for 17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene?
The canonical SMILES for 17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene is COCOC=CCCCCCCCCCCCCCCC(OC)OC.
What is the InChIKey of 17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene?
The InChIKey is FRAXNVZMDQDPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O4/c1-22-20-25-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21(23-2)24-3/h17,19,21H,4-16,18,20H2,1-3H3.
What are the key properties of 17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene?
17,17-dimethoxy-1-(methoxymethoxy)heptadec-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 17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene is sourced from PubChem (CID 163205994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).