butan-2-yl ethyl carbonate

C7H14O3 — CID 13297817

IUPACbutan-2-yl ethyl carbonate
SMILESCCOC(=O)OC(C)CC
InChIInChI=1S/C7H14O3/c1-4-6(3)10-7(8)9-5-2/h6H,4-5H2,1-3H3
InChIKeyKMIKGMBRCMHTMM-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.96
Rot. Bonds3

About butan-2-yl ethyl carbonate

butan-2-yl ethyl carbonate (PubChem CID 13297817) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is butan-2-yl ethyl carbonate.

Molecular Properties

Compound Namebutan-2-yl ethyl carbonate
PubChem CID13297817
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namebutan-2-yl ethyl carbonate
SMILESCCOC(=O)OC(C)CC
InChIInChI=1S/C7H14O3/c1-4-6(3)10-7(8)9-5-2/h6H,4-5H2,1-3H3
InChIKeyKMIKGMBRCMHTMM-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diethyl Carbonate
CID 7766
Diisopropyl peroxydicarbonate
CID 7769
Ethyl methyl carbonate
CID 522046
Dipropyl Carbonate
CID 69344
Methyl Propyl carbonate
CID 10129937
Diisopropyl carbonate
CID 536818
Chloromethyl isopropyl carbonate
CID 14787051
tert-Butyl ethyl carbonate
CID 545840
Methyl isopropyl carbonate
CID 7021530
(4R,5R)-4,5-Dimethyl-1,3-dioxolan-2-one
CID 10654203
rel-(4R,5S)-4,5-Dimethyl-1,3-dioxolan-2-one
CID 11434932
Carbonic acid, butyl ethyl ester
CID 61880

Frequently Asked Questions

What is the IUPAC name of butan-2-yl ethyl carbonate?
The IUPAC name of butan-2-yl ethyl carbonate (CID 13297817) is butan-2-yl ethyl carbonate.
What is the SMILES notation for butan-2-yl ethyl carbonate?
The canonical SMILES for butan-2-yl ethyl carbonate is CCOC(=O)OC(C)CC.
What is the InChIKey of butan-2-yl ethyl carbonate?
The InChIKey is KMIKGMBRCMHTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-6(3)10-7(8)9-5-2/h6H,4-5H2,1-3H3.
What are the key properties of butan-2-yl ethyl carbonate?
butan-2-yl ethyl carbonate has a molecular weight of 146.19 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl ethyl carbonate is sourced from PubChem (CID 13297817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).