1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene

C32H62O7 — CID 175171345

IUPAC1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene
SMILESCCCCCCCCC(OCC)=C(COCOCOCC(OCC)=C(CCCCCCCC)OCC)OCC
InChIInChI=1S/C32H62O7/c1-7-13-15-17-19-21-23-29(36-9-3)31(38-11-5)25-33-27-35-28-34-26-32(39-12-6)30(37-10-4)24-22-20-18-16-14-8-2/h7-28H2,1-6H3
InChIKeyJSZBHPAFADVKMC-UHFFFAOYSA-N
MW558.84 g/mol
LogP9.02
Rot. Bonds30

About 1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene

1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene (PubChem CID 175171345) has the molecular formula C32H62O7 and a molecular weight of 558.84 g/mol. Its IUPAC name is 1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene.

Molecular Properties

Compound Name1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene
PubChem CID175171345
Molecular FormulaC32H62O7
Molecular Weight558.84 g/mol
Exact Mass558.45
IUPAC Name1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene
SMILESCCCCCCCCC(OCC)=C(COCOCOCC(OCC)=C(CCCCCCCC)OCC)OCC
InChIInChI=1S/C32H62O7/c1-7-13-15-17-19-21-23-29(36-9-3)31(38-11-5)25-33-27-35-28-34-26-32(39-12-6)30(37-10-4)24-22-20-18-16-14-8-2/h7-28H2,1-6H3
InChIKeyJSZBHPAFADVKMC-UHFFFAOYSA-N
XLogP9.02
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds30
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.84
LogP ≤ 59.02
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-dipropoxyoctadec-2-enoxymethoxymethoxy)-2,3-dipropoxyoctadec-2-ene
CID 175225369
1-(2,3-dipropoxydodec-2-enoxymethoxymethoxy)-2,3-dipropoxydodec-2-ene
CID 175164389
1-(2,3-diheptoxyhexadec-2-enoxymethoxymethoxy)-2,3-diheptoxyhexadec-2-ene
CID 175225173
1-(2,3-diheptoxyundec-2-enoxymethoxymethoxy)-2,3-diheptoxyundec-2-ene
CID 175173935
2,3-dibutoxy-1-(2,3-dibutoxyoctadec-2-enoxymethoxymethoxy)octadec-2-ene
CID 175225416
1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene
CID 175169918
3-(4,5-diethoxypentadec-4-en-3-yloxymethoxymethoxy)-4,5-diethoxypentadec-4-ene
CID 175225349
2-(3,4-diethoxyhexadec-3-en-2-yloxymethoxymethoxy)-3,4-diethoxyhexadec-3-ene
CID 175226176
(Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene
CID 166757303
(Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene
CID 166757534
8-(7,8-diethoxytridec-7-en-6-yloxymethoxymethoxy)-6,7-diethoxytridec-6-ene
CID 175165421
1-(2,3-dimethoxyhex-2-enoxymethoxymethoxy)-2,3-dimethoxyhex-2-ene
CID 175164011

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene?
The IUPAC name of 1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene (CID 175171345) is 1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene.
What is the SMILES notation for 1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene?
The canonical SMILES for 1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene is CCCCCCCCC(OCC)=C(COCOCOCC(OCC)=C(CCCCCCCC)OCC)OCC.
What is the InChIKey of 1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene?
The InChIKey is JSZBHPAFADVKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62O7/c1-7-13-15-17-19-21-23-29(36-9-3)31(38-11-5)25-33-27-35-28-34-26-32(39-12-6)30(37-10-4)24-22-20-18-16-14-8-2/h7-28H2,1-6H3.
What are the key properties of 1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene?
1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene has a molecular weight of 558.84 g/mol, XLogP of 9.02, 30 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene is sourced from PubChem (CID 175171345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).