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

C38H74O7 — CID 175164389

IUPAC1-(2,3-dipropoxydodec-2-enoxymethoxymethoxy)-2,3-dipropoxydodec-2-ene
SMILESCCCCCCCCCC(OCCC)=C(COCOCOCC(OCCC)=C(CCCCCCCCC)OCCC)OCCC
InChIInChI=1S/C38H74O7/c1-7-13-15-17-19-21-23-25-35(42-27-9-3)37(44-29-11-5)31-39-33-41-34-40-32-38(45-30-12-6)36(43-28-10-4)26-24-22-20-18-16-14-8-2/h7-34H2,1-6H3
InChIKeyCUNRQRWFHHKMRI-UHFFFAOYSA-N
MW643.00 g/mol
LogP11.36
Rot. Bonds36

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

1-(2,3-dipropoxydodec-2-enoxymethoxymethoxy)-2,3-dipropoxydodec-2-ene (PubChem CID 175164389) has the molecular formula C38H74O7 and a molecular weight of 643.00 g/mol. Its IUPAC name is 1-(2,3-dipropoxydodec-2-enoxymethoxymethoxy)-2,3-dipropoxydodec-2-ene.

Molecular Properties

Compound Name1-(2,3-dipropoxydodec-2-enoxymethoxymethoxy)-2,3-dipropoxydodec-2-ene
PubChem CID175164389
Molecular FormulaC38H74O7
Molecular Weight643.00 g/mol
Exact Mass642.54
IUPAC Name1-(2,3-dipropoxydodec-2-enoxymethoxymethoxy)-2,3-dipropoxydodec-2-ene
SMILESCCCCCCCCCC(OCCC)=C(COCOCOCC(OCCC)=C(CCCCCCCCC)OCCC)OCCC
InChIInChI=1S/C38H74O7/c1-7-13-15-17-19-21-23-25-35(42-27-9-3)37(44-29-11-5)31-39-33-41-34-40-32-38(45-30-12-6)36(43-28-10-4)26-24-22-20-18-16-14-8-2/h7-34H2,1-6H3
InChIKeyCUNRQRWFHHKMRI-UHFFFAOYSA-N
XLogP11.36
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds36
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-(2,3-dipropoxyoctadec-2-enoxymethoxymethoxy)-2,3-dipropoxyoctadec-2-ene
CID 175225369
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-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene
CID 175171345
1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene
CID 175169918
2-(3,4-dipropoxytetradec-3-en-2-yloxymethoxymethoxy)-3,4-dipropoxytetradec-3-ene
CID 175225387
9-(10,11-dipropoxytricos-10-en-9-yloxymethoxymethoxy)-10,11-dipropoxytricos-10-ene
CID 175225315
1-(butoxymethoxy)-1,2-dipropoxyhept-1-ene
CID 166757268
1-(heptoxymethoxy)-1,2-dipentoxyhept-1-ene
CID 166757816
1-ethoxy-1-(1-ethoxy-2,3-dipropoxytridec-2-enoxy)-2,3-dipropoxytridec-2-ene
CID 175225384
1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene
CID 175164388

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dipropoxydodec-2-enoxymethoxymethoxy)-2,3-dipropoxydodec-2-ene?
The IUPAC name of 1-(2,3-dipropoxydodec-2-enoxymethoxymethoxy)-2,3-dipropoxydodec-2-ene (CID 175164389) is 1-(2,3-dipropoxydodec-2-enoxymethoxymethoxy)-2,3-dipropoxydodec-2-ene.
What is the SMILES notation for 1-(2,3-dipropoxydodec-2-enoxymethoxymethoxy)-2,3-dipropoxydodec-2-ene?
The canonical SMILES for 1-(2,3-dipropoxydodec-2-enoxymethoxymethoxy)-2,3-dipropoxydodec-2-ene is CCCCCCCCCC(OCCC)=C(COCOCOCC(OCCC)=C(CCCCCCCCC)OCCC)OCCC.
What is the InChIKey of 1-(2,3-dipropoxydodec-2-enoxymethoxymethoxy)-2,3-dipropoxydodec-2-ene?
The InChIKey is CUNRQRWFHHKMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H74O7/c1-7-13-15-17-19-21-23-25-35(42-27-9-3)37(44-29-11-5)31-39-33-41-34-40-32-38(45-30-12-6)36(43-28-10-4)26-24-22-20-18-16-14-8-2/h7-34H2,1-6H3.
What are the key properties of 1-(2,3-dipropoxydodec-2-enoxymethoxymethoxy)-2,3-dipropoxydodec-2-ene?
1-(2,3-dipropoxydodec-2-enoxymethoxymethoxy)-2,3-dipropoxydodec-2-ene has a molecular weight of 643.00 g/mol, XLogP of 11.36, 36 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dipropoxydodec-2-enoxymethoxymethoxy)-2,3-dipropoxydodec-2-ene is sourced from PubChem (CID 175164389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).