(3-methoxy-3-methylbutyl) propyl carbonate

C10H20O4 — CID 44602857

IUPAC(3-methoxy-3-methylbutyl) propyl carbonate
SMILESCCCOC(=O)OCCC(C)(C)OC
InChIInChI=1S/C10H20O4/c1-5-7-13-9(11)14-8-6-10(2,3)12-4/h5-8H2,1-4H3
InChIKeyCDBHEYRASRNAPX-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.36
Rot. Bonds6

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

(3-methoxy-3-methylbutyl) propyl carbonate (PubChem CID 44602857) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) propyl carbonate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) propyl carbonate
PubChem CID44602857
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(3-methoxy-3-methylbutyl) propyl carbonate
SMILESCCCOC(=O)OCCC(C)(C)OC
InChIInChI=1S/C10H20O4/c1-5-7-13-9(11)14-8-6-10(2,3)12-4/h5-8H2,1-4H3
InChIKeyCDBHEYRASRNAPX-UHFFFAOYSA-N
XLogP2.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.36
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) propyl carbonate?
The IUPAC name of (3-methoxy-3-methylbutyl) propyl carbonate (CID 44602857) is (3-methoxy-3-methylbutyl) propyl carbonate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) propyl carbonate?
The canonical SMILES for (3-methoxy-3-methylbutyl) propyl carbonate is CCCOC(=O)OCCC(C)(C)OC.
What is the InChIKey of (3-methoxy-3-methylbutyl) propyl carbonate?
The InChIKey is CDBHEYRASRNAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-5-7-13-9(11)14-8-6-10(2,3)12-4/h5-8H2,1-4H3.
What are the key properties of (3-methoxy-3-methylbutyl) propyl carbonate?
(3-methoxy-3-methylbutyl) propyl carbonate has a molecular weight of 204.27 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) propyl carbonate is sourced from PubChem (CID 44602857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).