4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one

C32H58O8 — CID 175850247

IUPAC4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one
SMILESCC(CCCC(C)(C)OCCCCCCCCCCOC(C)(C)CCCC(C)C1COC(=O)O1)C1COC(=O)O1
InChIInChI=1S/C32H58O8/c1-25(27-23-35-29(33)39-27)17-15-19-31(3,4)37-21-13-11-9-7-8-10-12-14-22-38-32(5,6)20-16-18-26(2)28-24-36-30(34)40-28/h25-28H,7-24H2,1-6H3
InChIKeyMLTVVNUXFXPAFF-UHFFFAOYSA-N
MW570.81 g/mol
LogP8.38
Rot. Bonds23

About 4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one

4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one (PubChem CID 175850247) has the molecular formula C32H58O8 and a molecular weight of 570.81 g/mol. Its IUPAC name is 4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one
PubChem CID175850247
Molecular FormulaC32H58O8
Molecular Weight570.81 g/mol
Exact Mass570.41
IUPAC Name4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one
SMILESCC(CCCC(C)(C)OCCCCCCCCCCOC(C)(C)CCCC(C)C1COC(=O)O1)C1COC(=O)O1
InChIInChI=1S/C32H58O8/c1-25(27-23-35-29(33)39-27)17-15-19-31(3,4)37-21-13-11-9-7-8-10-12-14-22-38-32(5,6)20-16-18-26(2)28-24-36-30(34)40-28/h25-28H,7-24H2,1-6H3
InChIKeyMLTVVNUXFXPAFF-UHFFFAOYSA-N
XLogP8.38
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.81
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one with MolForge

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Related Compounds

4-hexan-2-yl-1,3-dioxolan-2-one
CID 142697088
7-[7-(6-hydroxyhexoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctan-1-ol
CID 155653781
7-[6-(8-hydroxy-2,6-dimethyloctan-2-yl)oxyhexoxy]-3,7-dimethyloctan-1-ol;7-(6-hydroxyhexoxy)-3,7-dimethyloctan-1-ol;7-[7-(6-hydroxyhexoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctan-1-ol
CID 159888047
2-dodecoxy-2-methyltetradecane
CID 158074564
4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one
CID 70218868
5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate
CID 59566554
2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid
CID 22101666
4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one
CID 167194592
7-(oxiran-2-yl)octanoic acid
CID 90805841
2,3-bis(2-oxo-1,3-dioxolan-4-yl)butyl methanesulfonate
CID 170116424
dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one
CID 174821421
4-(3-methylbutyl)-1,3-dioxolan-2-one
CID 138595323

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one (CID 175850247) is 4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one is CC(CCCC(C)(C)OCCCCCCCCCCOC(C)(C)CCCC(C)C1COC(=O)O1)C1COC(=O)O1.
What is the InChIKey of 4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one?
The InChIKey is MLTVVNUXFXPAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58O8/c1-25(27-23-35-29(33)39-27)17-15-19-31(3,4)37-21-13-11-9-7-8-10-12-14-22-38-32(5,6)20-16-18-26(2)28-24-36-30(34)40-28/h25-28H,7-24H2,1-6H3.
What are the key properties of 4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one?
4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one has a molecular weight of 570.81 g/mol, XLogP of 8.38, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one is sourced from PubChem (CID 175850247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).