2-[2-[3-(2,9-dimethyloxasilonan-2-yl)propoxycarbonyloxy]ethoxy]ethyl 3-(2,9-dimethyloxasilonan-2-yl)propyl carbonate

C30H58O9Si2 — CID 58675298

IUPAC2-[2-[3-(2,9-dimethyloxasilonan-2-yl)propoxycarbonyloxy]ethoxy]ethyl 3-(2,9-dimethyloxasilonan-2-yl)propyl carbonate
SMILESCC1CCCCCC[Si](C)(CCCOC(=O)OCCOCCOC(=O)OCCC[Si]2(C)CCCCCCC(C)O2)O1
InChIInChI=1S/C30H58O9Si2/c1-27-15-9-5-7-11-23-40(3,38-27)25-13-17-34-29(31)36-21-19-33-20-22-37-30(32)35-18-14-26-41(4)24-12-8-6-10-16-28(2)39-41/h27-28H,5-26H2,1-4H3
InChIKeyWAPIENSPESXZPH-UHFFFAOYSA-N
MW618.96 g/mol
LogP7.98
Rot. Bonds14

About 2-[2-[3-(2,9-dimethyloxasilonan-2-yl)propoxycarbonyloxy]ethoxy]ethyl 3-(2,9-dimethyloxasilonan-2-yl)propyl carbonate

2-[2-[3-(2,9-dimethyloxasilonan-2-yl)propoxycarbonyloxy]ethoxy]ethyl 3-(2,9-dimethyloxasilonan-2-yl)propyl carbonate (PubChem CID 58675298) has the molecular formula C30H58O9Si2 and a molecular weight of 618.96 g/mol. Its IUPAC name is 2-[2-[3-(2,9-dimethyloxasilonan-2-yl)propoxycarbonyloxy]ethoxy]ethyl 3-(2,9-dimethyloxasilonan-2-yl)propyl carbonate.

Molecular Properties

Compound Name2-[2-[3-(2,9-dimethyloxasilonan-2-yl)propoxycarbonyloxy]ethoxy]ethyl 3-(2,9-dimethyloxasilonan-2-yl)propyl carbonate
PubChem CID58675298
Molecular FormulaC30H58O9Si2
Molecular Weight618.96 g/mol
Exact Mass618.36
IUPAC Name2-[2-[3-(2,9-dimethyloxasilonan-2-yl)propoxycarbonyloxy]ethoxy]ethyl 3-(2,9-dimethyloxasilonan-2-yl)propyl carbonate
SMILESCC1CCCCCC[Si](C)(CCCOC(=O)OCCOCCOC(=O)OCCC[Si]2(C)CCCCCCC(C)O2)O1
InChIInChI=1S/C30H58O9Si2/c1-27-15-9-5-7-11-23-40(3,38-27)25-13-17-34-29(31)36-21-19-33-20-22-37-30(32)35-18-14-26-41(4)24-12-8-6-10-16-28(2)39-41/h27-28H,5-26H2,1-4H3
InChIKeyWAPIENSPESXZPH-UHFFFAOYSA-N
XLogP7.98
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.96
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
2-(2-butoxyethoxy)ethyl hexyl carbonate
CID 87247659
3-butoxypropyl butyl carbonate
CID 87247588
bis(2-cyclohexyloxyethyl) carbonate
CID 139670101
bis(3-propoxypropyl) carbonate
CID 90300554
2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate
CID 104563373
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
2-propoxyethyl cyclohexanecarboxylate
CID 66700127
ethyl 3-(2-methoxyethoxy)propyl carbonate
CID 87247585
butyl N,N-dicyclohexylcarbamate
CID 13416417
4-(2-methoxyethoxy)butyl methyl carbonate
CID 87247594
bis[2-(2-butoxyethoxy)ethyl] oxalate
CID 3521781

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2,9-dimethyloxasilonan-2-yl)propoxycarbonyloxy]ethoxy]ethyl 3-(2,9-dimethyloxasilonan-2-yl)propyl carbonate?
The IUPAC name of 2-[2-[3-(2,9-dimethyloxasilonan-2-yl)propoxycarbonyloxy]ethoxy]ethyl 3-(2,9-dimethyloxasilonan-2-yl)propyl carbonate (CID 58675298) is 2-[2-[3-(2,9-dimethyloxasilonan-2-yl)propoxycarbonyloxy]ethoxy]ethyl 3-(2,9-dimethyloxasilonan-2-yl)propyl carbonate.
What is the SMILES notation for 2-[2-[3-(2,9-dimethyloxasilonan-2-yl)propoxycarbonyloxy]ethoxy]ethyl 3-(2,9-dimethyloxasilonan-2-yl)propyl carbonate?
The canonical SMILES for 2-[2-[3-(2,9-dimethyloxasilonan-2-yl)propoxycarbonyloxy]ethoxy]ethyl 3-(2,9-dimethyloxasilonan-2-yl)propyl carbonate is CC1CCCCCC[Si](C)(CCCOC(=O)OCCOCCOC(=O)OCCC[Si]2(C)CCCCCCC(C)O2)O1.
What is the InChIKey of 2-[2-[3-(2,9-dimethyloxasilonan-2-yl)propoxycarbonyloxy]ethoxy]ethyl 3-(2,9-dimethyloxasilonan-2-yl)propyl carbonate?
The InChIKey is WAPIENSPESXZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O9Si2/c1-27-15-9-5-7-11-23-40(3,38-27)25-13-17-34-29(31)36-21-19-33-20-22-37-30(32)35-18-14-26-41(4)24-12-8-6-10-16-28(2)39-41/h27-28H,5-26H2,1-4H3.
What are the key properties of 2-[2-[3-(2,9-dimethyloxasilonan-2-yl)propoxycarbonyloxy]ethoxy]ethyl 3-(2,9-dimethyloxasilonan-2-yl)propyl carbonate?
2-[2-[3-(2,9-dimethyloxasilonan-2-yl)propoxycarbonyloxy]ethoxy]ethyl 3-(2,9-dimethyloxasilonan-2-yl)propyl carbonate has a molecular weight of 618.96 g/mol, XLogP of 7.98, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2,9-dimethyloxasilonan-2-yl)propoxycarbonyloxy]ethoxy]ethyl 3-(2,9-dimethyloxasilonan-2-yl)propyl carbonate is sourced from PubChem (CID 58675298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).