di(1,2-13C2)ethyl carbonate

C5H10O3 — CID 71309515

IUPACdi(1,2-13C2)ethyl carbonate
SMILES[13CH3][13CH2]O[13C](=O)O[13CH2][13CH3]
InChIInChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3/i1+1,2+1,3+1,4+1,5+1
InChIKeyOIFBSDVPJOWBCH-CVMUNTFWSA-N
MW123.09 g/mol
LogP1.18
Rot. Bonds2

About di(1,2-13C2)ethyl carbonate

di(1,2-13C2)ethyl carbonate (PubChem CID 71309515) has the molecular formula C5H10O3 and a molecular weight of 123.09 g/mol. Its IUPAC name is di(1,2-13C2)ethyl carbonate.

Molecular Properties

Compound Namedi(1,2-13C2)ethyl carbonate
PubChem CID71309515
Molecular FormulaC5H10O3
Molecular Weight123.09 g/mol
Exact Mass123.08
IUPAC Namedi(1,2-13C2)ethyl carbonate
SMILES[13CH3][13CH2]O[13C](=O)O[13CH2][13CH3]
InChIInChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3/i1+1,2+1,3+1,4+1,5+1
InChIKeyOIFBSDVPJOWBCH-CVMUNTFWSA-N
XLogP1.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.09
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diethyl Carbonate
CID 7766
Diethyl Pyrocarbonate
CID 3051
Diethoxymethane
CID 10024
Dipropyl Carbonate
CID 69344
Ethyl methyl carbonate
CID 522046
Bis(2-methoxyethyl) carbonate
CID 94900
Methyl Propyl carbonate
CID 10129937
Diisopropyl carbonate
CID 536818
Carbonic acid, monoethyl ester, magnesium salt (2:1)
CID 167585
Diethyl peroxydicarbonate
CID 61756
Methyl isopropyl carbonate
CID 7021530
Carbonic acid, butyl ethyl ester
CID 61880

Frequently Asked Questions

What is the IUPAC name of di(1,2-13C2)ethyl carbonate?
The IUPAC name of di(1,2-13C2)ethyl carbonate (CID 71309515) is di(1,2-13C2)ethyl carbonate.
What is the SMILES notation for di(1,2-13C2)ethyl carbonate?
The canonical SMILES for di(1,2-13C2)ethyl carbonate is [13CH3][13CH2]O[13C](=O)O[13CH2][13CH3].
What is the InChIKey of di(1,2-13C2)ethyl carbonate?
The InChIKey is OIFBSDVPJOWBCH-CVMUNTFWSA-N. The full InChI is InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3/i1+1,2+1,3+1,4+1,5+1.
What are the key properties of di(1,2-13C2)ethyl carbonate?
di(1,2-13C2)ethyl carbonate has a molecular weight of 123.09 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(1,2-13C2)ethyl carbonate is sourced from PubChem (CID 71309515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).