1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene

C48H94O7 — CID 175225179

IUPAC1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene
SMILESCCCCCCCCCCC(OC)=C(OC)C(OCCCCCCCCC)OC(OCCCCCCCCC)C(OC)=C(CCCCCCCCCC)OC
InChIInChI=1S/C48H94O7/c1-9-13-17-21-25-27-31-35-39-43(49-5)45(51-7)47(53-41-37-33-29-23-19-15-11-3)55-48(54-42-38-34-30-24-20-16-12-4)46(52-8)44(50-6)40-36-32-28-26-22-18-14-10-2/h47-48H,9-42H2,1-8H3
InChIKeyMOHAHVJLJONJAT-UHFFFAOYSA-N
MW783.27 g/mol
LogP15.26
Rot. Bonds44

About 1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene

1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene (PubChem CID 175225179) has the molecular formula C48H94O7 and a molecular weight of 783.27 g/mol. Its IUPAC name is 1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene.

Molecular Properties

Compound Name1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene
PubChem CID175225179
Molecular FormulaC48H94O7
Molecular Weight783.27 g/mol
Exact Mass782.70
IUPAC Name1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene
SMILESCCCCCCCCCCC(OC)=C(OC)C(OCCCCCCCCC)OC(OCCCCCCCCC)C(OC)=C(CCCCCCCCCC)OC
InChIInChI=1S/C48H94O7/c1-9-13-17-21-25-27-31-35-39-43(49-5)45(51-7)47(53-41-37-33-29-23-19-15-11-3)55-48(54-42-38-34-30-24-20-16-12-4)46(52-8)44(50-6)40-36-32-28-26-22-18-14-10-2/h47-48H,9-42H2,1-8H3
InChIKeyMOHAHVJLJONJAT-UHFFFAOYSA-N
XLogP15.26
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds44
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.27
LogP ≤ 515.26
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-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene
CID 175167179
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-dimethoxy-1-phenylmethoxytridec-2-enoxy)-2,3-dimethoxytridec-2-enoxy]methylbenzene
CID 175226209
1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene
CID 175177135
1-ethoxy-1-(1-ethoxy-2,3-dipropoxytridec-2-enoxy)-2,3-dipropoxytridec-2-ene
CID 175225384
1,2,3-triethoxy-1-(1,2,3-triethoxypentadec-2-enoxy)pentadec-2-ene
CID 175226174
1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene
CID 175164388
6-(7,8-dimethoxyicos-7-en-6-yloxymethoxymethoxy)-7,8-dimethoxyicos-7-ene
CID 175226007
[1-[(2,3-dimethoxy-1-phenylpentadec-2-enoxy)methoxymethoxy]-2,3-dimethoxypentadec-2-enyl]benzene
CID 175225285
icosoxymethanediol
CID 175975847
didodecoxymethylsilane
CID 172799979

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene?
The IUPAC name of 1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene (CID 175225179) is 1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene.
What is the SMILES notation for 1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene?
The canonical SMILES for 1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene is CCCCCCCCCCC(OC)=C(OC)C(OCCCCCCCCC)OC(OCCCCCCCCC)C(OC)=C(CCCCCCCCCC)OC.
What is the InChIKey of 1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene?
The InChIKey is MOHAHVJLJONJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H94O7/c1-9-13-17-21-25-27-31-35-39-43(49-5)45(51-7)47(53-41-37-33-29-23-19-15-11-3)55-48(54-42-38-34-30-24-20-16-12-4)46(52-8)44(50-6)40-36-32-28-26-22-18-14-10-2/h47-48H,9-42H2,1-8H3.
What are the key properties of 1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene?
1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene has a molecular weight of 783.27 g/mol, XLogP of 15.26, 44 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene is sourced from PubChem (CID 175225179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).