(3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate

C14H26O8 — CID 139761733

IUPAC(3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate
SMILESCOC(C)C(C)COC(=O)OOC(=O)OCC(C)C(C)OC
InChIInChI=1S/C14H26O8/c1-9(11(3)17-5)7-19-13(15)21-22-14(16)20-8-10(2)12(4)18-6/h9-12H,7-8H2,1-6H3
InChIKeyVRRZYIYKLBHDQY-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.55
Rot. Bonds8

About (3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate

(3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate (PubChem CID 139761733) has the molecular formula C14H26O8 and a molecular weight of 322.35 g/mol. Its IUPAC name is (3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate.

Molecular Properties

Compound Name(3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate
PubChem CID139761733
Molecular FormulaC14H26O8
Molecular Weight322.35 g/mol
Exact Mass322.16
IUPAC Name(3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate
SMILESCOC(C)C(C)COC(=O)OOC(=O)OCC(C)C(C)OC
InChIInChI=1S/C14H26O8/c1-9(11(3)17-5)7-19-13(15)21-22-14(16)20-8-10(2)12(4)18-6/h9-12H,7-8H2,1-6H3
InChIKeyVRRZYIYKLBHDQY-UHFFFAOYSA-N
XLogP2.55
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate?
The IUPAC name of (3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate (CID 139761733) is (3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate.
What is the SMILES notation for (3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate?
The canonical SMILES for (3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate is COC(C)C(C)COC(=O)OOC(=O)OCC(C)C(C)OC.
What is the InChIKey of (3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate?
The InChIKey is VRRZYIYKLBHDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O8/c1-9(11(3)17-5)7-19-13(15)21-22-14(16)20-8-10(2)12(4)18-6/h9-12H,7-8H2,1-6H3.
What are the key properties of (3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate?
(3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate has a molecular weight of 322.35 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate is sourced from PubChem (CID 139761733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).