dipropan-2-yl carbonate

C7H14O3 — CID 536818

IUPACdipropan-2-yl carbonate
SMILESCC(C)OC(=O)OC(C)C
InChIInChI=1S/C7H14O3/c1-5(2)9-7(8)10-6(3)4/h5-6H,1-4H3
InChIKeyJMPVESVJOFYWTB-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.96
Rot. Bonds2

About dipropan-2-yl carbonate

dipropan-2-yl carbonate (PubChem CID 536818) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is dipropan-2-yl carbonate.

Molecular Properties

Compound Namedipropan-2-yl carbonate
PubChem CID536818
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namedipropan-2-yl carbonate
SMILESCC(C)OC(=O)OC(C)C
InChIInChI=1S/C7H14O3/c1-5(2)9-7(8)10-6(3)4/h5-6H,1-4H3
InChIKeyJMPVESVJOFYWTB-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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
Dipropyl Carbonate
CID 69344
Ethyl methyl carbonate
CID 522046
Methyl Propyl carbonate
CID 10129937
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
Trans-2,3-Butylene carbonate
CID 10080377

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl carbonate?
The IUPAC name of dipropan-2-yl carbonate (CID 536818) is dipropan-2-yl carbonate.
What is the SMILES notation for dipropan-2-yl carbonate?
The canonical SMILES for dipropan-2-yl carbonate is CC(C)OC(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl carbonate?
The InChIKey is JMPVESVJOFYWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5(2)9-7(8)10-6(3)4/h5-6H,1-4H3.
What are the key properties of dipropan-2-yl carbonate?
dipropan-2-yl carbonate has a molecular weight of 146.19 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl carbonate is sourced from PubChem (CID 536818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).