(3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate

C14H26O10 — CID 158323138

IUPAC(3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate
SMILESCOC(C)(C)CCOOC(=O)OOOC(=O)OCCC(C)(C)OC
InChIInChI=1S/C14H26O10/c1-13(2,17-5)7-9-19-11(15)22-24-23-12(16)21-20-10-8-14(3,4)18-6/h7-10H2,1-6H3
InChIKeyGPCAKQZVTMVHFQ-UHFFFAOYSA-N
MW354.35 g/mol
LogP2.70
Rot. Bonds11

About (3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate

(3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate (PubChem CID 158323138) has the molecular formula C14H26O10 and a molecular weight of 354.35 g/mol. Its IUPAC name is (3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate
PubChem CID158323138
Molecular FormulaC14H26O10
Molecular Weight354.35 g/mol
Exact Mass354.15
IUPAC Name(3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate
SMILESCOC(C)(C)CCOOC(=O)OOOC(=O)OCCC(C)(C)OC
InChIInChI=1S/C14H26O10/c1-13(2,17-5)7-9-19-11(15)22-24-23-12(16)21-20-10-8-14(3,4)18-6/h7-10H2,1-6H3
InChIKeyGPCAKQZVTMVHFQ-UHFFFAOYSA-N
XLogP2.70
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carboxyoxy (3-methoxy-3-methylbutyl) carbonate
CID 87697093
(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate
CID 140987016
acetic acid;(3-methoxy-3-methylbutyl) acetate
CID 162329695
(3-methoxy-3-methylbutyl) 2-methoxyacetate
CID 44602909
ethane-1,2-diol;(3-methoxy-3-methylbutyl) acetate
CID 146356038
3-(3-methoxy-3-methylbutoxy)butan-2-one
CID 58421308
(3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate
CID 106666034
(3-methoxy-3-methylbutyl) 3,5-dimethylbenzenecarboperoxoate
CID 173267390
ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate
CID 143339482
(3-methoxy-3-methylbutyl) 2-(methylamino)butanoate
CID 106666081
(3-methoxy-3-methylbutyl) but-2-enoate
CID 161484062
(3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate
CID 106666200

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate?
The IUPAC name of (3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate (CID 158323138) is (3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate.
What is the SMILES notation for (3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate?
The canonical SMILES for (3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate is COC(C)(C)CCOOC(=O)OOOC(=O)OCCC(C)(C)OC.
What is the InChIKey of (3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate?
The InChIKey is GPCAKQZVTMVHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O10/c1-13(2,17-5)7-9-19-11(15)22-24-23-12(16)21-20-10-8-14(3,4)18-6/h7-10H2,1-6H3.
What are the key properties of (3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate?
(3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate has a molecular weight of 354.35 g/mol, XLogP of 2.70, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate is sourced from PubChem (CID 158323138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).