(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate

C14H26O7 — CID 140987016

IUPAC(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate
SMILESCOC(C)(C)CCOC(=O)OC(=O)OCCC(C)(C)OC
InChIInChI=1S/C14H26O7/c1-13(2,17-5)7-9-19-11(15)21-12(16)20-10-8-14(3,4)18-6/h7-10H2,1-6H3
InChIKeyFTKKEZGDJPUYMM-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.91
Rot. Bonds8

About (3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate

(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate (PubChem CID 140987016) has the molecular formula C14H26O7 and a molecular weight of 306.36 g/mol. Its IUPAC name is (3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate
PubChem CID140987016
Molecular FormulaC14H26O7
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Name(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate
SMILESCOC(C)(C)CCOC(=O)OC(=O)OCCC(C)(C)OC
InChIInChI=1S/C14H26O7/c1-13(2,17-5)7-9-19-11(15)21-12(16)20-10-8-14(3,4)18-6/h7-10H2,1-6H3
InChIKeyFTKKEZGDJPUYMM-UHFFFAOYSA-N
XLogP2.91
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

carboxyoxy (3-methoxy-3-methylbutyl) carbonate
CID 87697093
acetic acid;(3-methoxy-3-methylbutyl) acetate
CID 162329695
(3-methoxy-3-methylbutoxy) (3-methoxy-3-methylbutoxy)carbonylperoxy carbonate
CID 158323138
(3-methoxy-3-methylbutyl) 2-methoxyacetate
CID 44602909
ethane-1,2-diol;(3-methoxy-3-methylbutyl) acetate
CID 146356038
(3-methoxy-3-methylbutyl) but-2-enoate
CID 161484062
(3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate
CID 106665977
(3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate
CID 106666034
1-O-ethyl 6-O-(3-methoxy-3-methylbutyl) hexanedioate
CID 71397391
3-(3-methoxy-3-methylbutoxy)butan-2-one
CID 58421308
(3-methoxy-3-methylbutyl) 2-(methylamino)butanoate
CID 106666081
ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate
CID 143339482

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate?
The IUPAC name of (3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate (CID 140987016) is (3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate.
What is the SMILES notation for (3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate?
The canonical SMILES for (3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate is COC(C)(C)CCOC(=O)OC(=O)OCCC(C)(C)OC.
What is the InChIKey of (3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate?
The InChIKey is FTKKEZGDJPUYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O7/c1-13(2,17-5)7-9-19-11(15)21-12(16)20-10-8-14(3,4)18-6/h7-10H2,1-6H3.
What are the key properties of (3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate?
(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate has a molecular weight of 306.36 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate is sourced from PubChem (CID 140987016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).