carboxyoxy (3-methoxy-3-methylbutyl) carbonate

C8H14O7 — CID 87697093

IUPACcarboxyoxy (3-methoxy-3-methylbutyl) carbonate
SMILESCOC(C)(C)CCOC(=O)OOC(=O)O
InChIInChI=1S/C8H14O7/c1-8(2,12-3)4-5-13-7(11)15-14-6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKeyDNJAVCBKANDYER-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.56
Rot. Bonds4

About carboxyoxy (3-methoxy-3-methylbutyl) carbonate

carboxyoxy (3-methoxy-3-methylbutyl) carbonate (PubChem CID 87697093) has the molecular formula C8H14O7 and a molecular weight of 222.19 g/mol. Its IUPAC name is carboxyoxy (3-methoxy-3-methylbutyl) carbonate.

Molecular Properties

Compound Namecarboxyoxy (3-methoxy-3-methylbutyl) carbonate
PubChem CID87697093
Molecular FormulaC8H14O7
Molecular Weight222.19 g/mol
Exact Mass222.07
IUPAC Namecarboxyoxy (3-methoxy-3-methylbutyl) carbonate
SMILESCOC(C)(C)CCOC(=O)OOC(=O)O
InChIInChI=1S/C8H14O7/c1-8(2,12-3)4-5-13-7(11)15-14-6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKeyDNJAVCBKANDYER-UHFFFAOYSA-N
XLogP1.56
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(3-Methoxy-3-methylbutoxy)carbonyloxy (3-methoxy-3-methylbutyl) carbonate
CID 54558219
3-Methoxy-3-methylbutyl methoxyformate
CID 44602855
(3-Methoxy-3-methylbutyl) propyl carbonate
CID 44602857
3-Tert-butylperoxypropyl hydrogen carbonate
CID 20141191
(4-Tert-butylperoxy-4-methylpentan-2-yl) hydrogen carbonate
CID 22360480
Butyl 2-methylbutan-2-yloxy carbonate
CID 22927517
(4-Carboxyoxy-2-methylpentan-2-yl)oxy hydrogen carbonate
CID 23183839
(4-Carboxyoxy-3-methylbutan-2-yl) hydrogen carbonate
CID 23296804
(3-Methoxy-3-methylbutoxy) (3-methoxy-3-methylbutyl) carbonate
CID 53763870
(3-Methoxy-3-methylbutoxy)carbonyloxyperoxy (3-methoxy-3-methylbutyl) carbonate
CID 54028794
(4-Carboxyoxy-2-methylbutan-2-yl) hydrogen carbonate
CID 87059892
(3-Methoxy-3-methylbutoxy)peroxycarbonyl (3-methoxy-3-methylbutyl)peroxy carbonate
CID 87065811

Frequently Asked Questions

What is the IUPAC name of carboxyoxy (3-methoxy-3-methylbutyl) carbonate?
The IUPAC name of carboxyoxy (3-methoxy-3-methylbutyl) carbonate (CID 87697093) is carboxyoxy (3-methoxy-3-methylbutyl) carbonate.
What is the SMILES notation for carboxyoxy (3-methoxy-3-methylbutyl) carbonate?
The canonical SMILES for carboxyoxy (3-methoxy-3-methylbutyl) carbonate is COC(C)(C)CCOC(=O)OOC(=O)O.
What is the InChIKey of carboxyoxy (3-methoxy-3-methylbutyl) carbonate?
The InChIKey is DNJAVCBKANDYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O7/c1-8(2,12-3)4-5-13-7(11)15-14-6(9)10/h4-5H2,1-3H3,(H,9,10).
What are the key properties of carboxyoxy (3-methoxy-3-methylbutyl) carbonate?
carboxyoxy (3-methoxy-3-methylbutyl) carbonate has a molecular weight of 222.19 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carboxyoxy (3-methoxy-3-methylbutyl) carbonate is sourced from PubChem (CID 87697093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).