1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene

C38H74O7 — CID 175164388

IUPAC1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene
SMILESCCCCCCCCCC(OCCC)=C(OCCC)C(OC)OC(OC)C(OCCC)=C(CCCCCCCCC)OCCC
InChIInChI=1S/C38H74O7/c1-9-15-17-19-21-23-25-27-33(41-29-11-3)35(43-31-13-5)37(39-7)45-38(40-8)36(44-32-14-6)34(42-30-12-4)28-26-24-22-20-18-16-10-2/h37-38H,9-32H2,1-8H3
InChIKeyFNRDCRDLKPVXEY-UHFFFAOYSA-N
MW643.00 g/mol
LogP11.36
Rot. Bonds34

About 1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene

1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene (PubChem CID 175164388) has the molecular formula C38H74O7 and a molecular weight of 643.00 g/mol. Its IUPAC name is 1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene.

Molecular Properties

Compound Name1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene
PubChem CID175164388
Molecular FormulaC38H74O7
Molecular Weight643.00 g/mol
Exact Mass642.54
IUPAC Name1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene
SMILESCCCCCCCCCC(OCCC)=C(OCCC)C(OC)OC(OC)C(OCCC)=C(CCCCCCCCC)OCCC
InChIInChI=1S/C38H74O7/c1-9-15-17-19-21-23-25-27-33(41-29-11-3)35(43-31-13-5)37(39-7)45-38(40-8)36(44-32-14-6)34(42-30-12-4)28-26-24-22-20-18-16-10-2/h37-38H,9-32H2,1-8H3
InChIKeyFNRDCRDLKPVXEY-UHFFFAOYSA-N
XLogP11.36
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds34
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.00
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-ethoxy-1-(1-ethoxy-2,3-dipropoxytridec-2-enoxy)-2,3-dipropoxytridec-2-ene
CID 175225384
1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene
CID 175165112
1,2,3-trimethoxy-1-(1,2,3-trimethoxynonadec-2-enoxy)nonadec-2-ene
CID 175226304
2,3-dibutoxy-1-(2,3-dibutoxy-1-pentoxyoct-2-enoxy)-1-pentoxyoct-2-ene
CID 175177310
1,2,3-triethoxy-1-(1,2,3-triethoxypentadec-2-enoxy)pentadec-2-ene
CID 175226174
2-(3,4-dipropoxytetradec-3-en-2-yloxymethoxymethoxy)-3,4-dipropoxytetradec-3-ene
CID 175225387
1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene
CID 175177135
9-(10,11-dipropoxytricos-10-en-9-yloxymethoxymethoxy)-10,11-dipropoxytricos-10-ene
CID 175225315
1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene
CID 175225179
1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene
CID 175167179
[1-[(1-phenyl-2,3-dipropoxytridec-2-enoxy)methoxymethoxy]-2,3-dipropoxytridec-2-enyl]benzene
CID 175225217
1-(2,3-dipropoxyoctadec-2-enoxymethoxymethoxy)-2,3-dipropoxyoctadec-2-ene
CID 175225369

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene?
The IUPAC name of 1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene (CID 175164388) is 1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene.
What is the SMILES notation for 1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene?
The canonical SMILES for 1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene is CCCCCCCCCC(OCCC)=C(OCCC)C(OC)OC(OC)C(OCCC)=C(CCCCCCCCC)OCCC.
What is the InChIKey of 1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene?
The InChIKey is FNRDCRDLKPVXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H74O7/c1-9-15-17-19-21-23-25-27-33(41-29-11-3)35(43-31-13-5)37(39-7)45-38(40-8)36(44-32-14-6)34(42-30-12-4)28-26-24-22-20-18-16-10-2/h37-38H,9-32H2,1-8H3.
What are the key properties of 1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene?
1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene has a molecular weight of 643.00 g/mol, XLogP of 11.36, 34 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene is sourced from PubChem (CID 175164388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).