Basic information
- CAS
67923-79-9- Standard SMILES
CCCCCCC(C)(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C- InChIKey
VZIHSPBCPJODIV-UHFFFAOYSA-N- Molecular formula
- C34H70O2
- Average molar mass
- 510.9 g/mol
- Monoisotopic mass
- 510.53758147
Names & identifiers
- Preferred name
- Isotridecane, 1,1'-[(methylheptylidene)bis(oxy)]bis-
- IUPAC
- 11-methyl-1-[2-(11-methyldodecoxy)octan-2-yloxy]dodecane
- English name
- 1,1'-[(methylheptylidene)bis(oxy)]bisisotridecane
- Molecular formula
- C34H70O2
- Molecular weight
- 510.9184
Names & synonyms
Isooctanal diisotridecylacetalIsotridecane, 1,1'-[(methylheptylidene)bis(oxy)]bis-EINECS 267-785-1DTXSID1070856Isotridecane, 1,1'-((methylheptylidene)bis(oxy))bis-RefChem:792378DTXCID704528567923-79-9SCHEMBL28158545VZIHSPBCPJODIV-UHFFFAOYSA-N1,1'-((Methylheptylidene)bis(oxy))bisisotridecane11-METHYL-1-({2-[(11-METHYLDODECYL)OXY]OCTAN-2-YL}OXY)DODECANE
Show more names
isooctanal diisotridecyl acetal1,1'-[(methylheptylidene)bis(oxy)]bisisotridecane
Database identifiers
- CAS
67923-79-9- PubChem CID
- 172000
- DTXSID
DTXSID1070856- EC Number
- 267-785-1
Properties
Computed structural properties
- XLogP
- 14.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 29
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- LogP
- 14.877 · 14.877 (est)
- EPA Substance Registry System
- 1 · Isotridecane, 1,1'-[(methylheptylidene)bis(oxy)]bis- (67923-79-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Isotridecane, 1,1'-[(methylheptylidene)bis(oxy)]bis-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationIsotridecane, 1,1'-[(methylheptylidene)bis(oxy)]bis-: ACTIVE
Suppliers1 total
BOC Sciences[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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