ethyl 3-methylbutyl carbonate

C8H16O3 — CID 23451732

IUPACethyl 3-methylbutyl carbonate
SMILESCCOC(=O)OCCC(C)C
InChIInChI=1S/C8H16O3/c1-4-10-8(9)11-6-5-7(2)3/h7H,4-6H2,1-3H3
InChIKeyRPKMPEANEMCNBF-UHFFFAOYSA-N
MW160.21 g/mol
LogP2.21
Rot. Bonds4

About ethyl 3-methylbutyl carbonate

ethyl 3-methylbutyl carbonate (PubChem CID 23451732) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is ethyl 3-methylbutyl carbonate.

Molecular Properties

Compound Nameethyl 3-methylbutyl carbonate
PubChem CID23451732
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameethyl 3-methylbutyl carbonate
SMILESCCOC(=O)OCCC(C)C
InChIInChI=1S/C8H16O3/c1-4-10-8(9)11-6-5-7(2)3/h7H,4-6H2,1-3H3
InChIKeyRPKMPEANEMCNBF-UHFFFAOYSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methylbutyl carbonate?
The IUPAC name of ethyl 3-methylbutyl carbonate (CID 23451732) is ethyl 3-methylbutyl carbonate.
What is the SMILES notation for ethyl 3-methylbutyl carbonate?
The canonical SMILES for ethyl 3-methylbutyl carbonate is CCOC(=O)OCCC(C)C.
What is the InChIKey of ethyl 3-methylbutyl carbonate?
The InChIKey is RPKMPEANEMCNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-10-8(9)11-6-5-7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 3-methylbutyl carbonate?
ethyl 3-methylbutyl carbonate has a molecular weight of 160.21 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methylbutyl carbonate is sourced from PubChem (CID 23451732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).