ethyl 3-methylbutan-2-yl carbonate

C8H16O3 — CID 23451725

IUPACethyl 3-methylbutan-2-yl carbonate
SMILESCCOC(=O)OC(C)C(C)C
InChIInChI=1S/C8H16O3/c1-5-10-8(9)11-7(4)6(2)3/h6-7H,5H2,1-4H3
InChIKeyXXFPNRVPXCFNCD-UHFFFAOYSA-N
MW160.21 g/mol
LogP2.20
Rot. Bonds3

About ethyl 3-methylbutan-2-yl carbonate

ethyl 3-methylbutan-2-yl carbonate (PubChem CID 23451725) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is ethyl 3-methylbutan-2-yl carbonate.

Molecular Properties

Compound Nameethyl 3-methylbutan-2-yl carbonate
PubChem CID23451725
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameethyl 3-methylbutan-2-yl carbonate
SMILESCCOC(=O)OC(C)C(C)C
InChIInChI=1S/C8H16O3/c1-5-10-8(9)11-7(4)6(2)3/h6-7H,5H2,1-4H3
InChIKeyXXFPNRVPXCFNCD-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methylbutan-2-yl carbonate?
The IUPAC name of ethyl 3-methylbutan-2-yl carbonate (CID 23451725) is ethyl 3-methylbutan-2-yl carbonate.
What is the SMILES notation for ethyl 3-methylbutan-2-yl carbonate?
The canonical SMILES for ethyl 3-methylbutan-2-yl carbonate is CCOC(=O)OC(C)C(C)C.
What is the InChIKey of ethyl 3-methylbutan-2-yl carbonate?
The InChIKey is XXFPNRVPXCFNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-5-10-8(9)11-7(4)6(2)3/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 3-methylbutan-2-yl carbonate?
ethyl 3-methylbutan-2-yl carbonate has a molecular weight of 160.21 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methylbutan-2-yl carbonate is sourced from PubChem (CID 23451725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).