ethyl pentan-3-yl carbonate

C8H16O3 — CID 23451728

IUPACethyl pentan-3-yl carbonate
SMILESCCOC(=O)OC(CC)CC
InChIInChI=1S/C8H16O3/c1-4-7(5-2)11-8(9)10-6-3/h7H,4-6H2,1-3H3
InChIKeyYMBUHDUFLDXZMS-UHFFFAOYSA-N
MW160.21 g/mol
LogP2.35
Rot. Bonds4

About ethyl pentan-3-yl carbonate

ethyl pentan-3-yl carbonate (PubChem CID 23451728) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is ethyl pentan-3-yl carbonate.

Molecular Properties

Compound Nameethyl pentan-3-yl carbonate
PubChem CID23451728
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameethyl pentan-3-yl carbonate
SMILESCCOC(=O)OC(CC)CC
InChIInChI=1S/C8H16O3/c1-4-7(5-2)11-8(9)10-6-3/h7H,4-6H2,1-3H3
InChIKeyYMBUHDUFLDXZMS-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl pentan-3-yl carbonate?
The IUPAC name of ethyl pentan-3-yl carbonate (CID 23451728) is ethyl pentan-3-yl carbonate.
What is the SMILES notation for ethyl pentan-3-yl carbonate?
The canonical SMILES for ethyl pentan-3-yl carbonate is CCOC(=O)OC(CC)CC.
What is the InChIKey of ethyl pentan-3-yl carbonate?
The InChIKey is YMBUHDUFLDXZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-7(5-2)11-8(9)10-6-3/h7H,4-6H2,1-3H3.
What are the key properties of ethyl pentan-3-yl carbonate?
ethyl pentan-3-yl carbonate has a molecular weight of 160.21 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pentan-3-yl carbonate is sourced from PubChem (CID 23451728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).