(3-methoxy-3-methylbutyl) methyl carbonate

C8H16O4 — CID 44602855

IUPAC(3-methoxy-3-methylbutyl) methyl carbonate
SMILESCOC(=O)OCCC(C)(C)OC
InChIInChI=1S/C8H16O4/c1-8(2,11-4)5-6-12-7(9)10-3/h5-6H2,1-4H3
InChIKeyVOGQTKNWUNLQOJ-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.58
Rot. Bonds4

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

(3-methoxy-3-methylbutyl) methyl carbonate (PubChem CID 44602855) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) methyl carbonate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) methyl carbonate
PubChem CID44602855
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(3-methoxy-3-methylbutyl) methyl carbonate
SMILESCOC(=O)OCCC(C)(C)OC
InChIInChI=1S/C8H16O4/c1-8(2,11-4)5-6-12-7(9)10-3/h5-6H2,1-4H3
InChIKeyVOGQTKNWUNLQOJ-UHFFFAOYSA-N
XLogP1.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) methyl carbonate?
The IUPAC name of (3-methoxy-3-methylbutyl) methyl carbonate (CID 44602855) is (3-methoxy-3-methylbutyl) methyl carbonate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) methyl carbonate?
The canonical SMILES for (3-methoxy-3-methylbutyl) methyl carbonate is COC(=O)OCCC(C)(C)OC.
What is the InChIKey of (3-methoxy-3-methylbutyl) methyl carbonate?
The InChIKey is VOGQTKNWUNLQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-8(2,11-4)5-6-12-7(9)10-3/h5-6H2,1-4H3.
What are the key properties of (3-methoxy-3-methylbutyl) methyl carbonate?
(3-methoxy-3-methylbutyl) methyl carbonate has a molecular weight of 176.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) methyl carbonate is sourced from PubChem (CID 44602855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).