ethyl (1-methylcyclopropyl) carbonate

C7H12O3 — CID 89090966

IUPACethyl (1-methylcyclopropyl) carbonate
SMILESCCOC(=O)OC1(C)CC1
InChIInChI=1S/C7H12O3/c1-3-9-6(8)10-7(2)4-5-7/h3-5H2,1-2H3
InChIKeySZXUVOXIUIDMRJ-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.71
Rot. Bonds2

About ethyl (1-methylcyclopropyl) carbonate

ethyl (1-methylcyclopropyl) carbonate (PubChem CID 89090966) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is ethyl (1-methylcyclopropyl) carbonate.

Molecular Properties

Compound Nameethyl (1-methylcyclopropyl) carbonate
PubChem CID89090966
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Nameethyl (1-methylcyclopropyl) carbonate
SMILESCCOC(=O)OC1(C)CC1
InChIInChI=1S/C7H12O3/c1-3-9-6(8)10-7(2)4-5-7/h3-5H2,1-2H3
InChIKeySZXUVOXIUIDMRJ-UHFFFAOYSA-N
XLogP1.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(1-methylcyclopropyl) carbonate
CID 88996166
chloro (1-methylcyclopropyl) carbonate
CID 140540913
(1-methylcyclopentyl) 2-methylpropyl carbonate
CID 54223354
CID 175796855
CID 175796855
(4-amino-1-ethoxypiperidin-4-yl) ethyl carbonate
CID 67375937
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
[4-[4-(4-butoxyphenyl)cyclohexyl]-1-methylcyclohexyl] ethyl carbonate
CID 70488625
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
diethyl carbonate;ethane-1,2-diol
CID 19764063
(1-cyano-2,2-diethoxycyclopentyl) ethyl carbonate
CID 11288727
(1-methylcyclohexyl) acetate;propane
CID 143035856

Frequently Asked Questions

What is the IUPAC name of ethyl (1-methylcyclopropyl) carbonate?
The IUPAC name of ethyl (1-methylcyclopropyl) carbonate (CID 89090966) is ethyl (1-methylcyclopropyl) carbonate.
What is the SMILES notation for ethyl (1-methylcyclopropyl) carbonate?
The canonical SMILES for ethyl (1-methylcyclopropyl) carbonate is CCOC(=O)OC1(C)CC1.
What is the InChIKey of ethyl (1-methylcyclopropyl) carbonate?
The InChIKey is SZXUVOXIUIDMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-9-6(8)10-7(2)4-5-7/h3-5H2,1-2H3.
What are the key properties of ethyl (1-methylcyclopropyl) carbonate?
ethyl (1-methylcyclopropyl) carbonate has a molecular weight of 144.17 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1-methylcyclopropyl) carbonate is sourced from PubChem (CID 89090966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).