bis(2-cyclohexyl-2-oxoethyl) carbonate

C17H26O5 — CID 123363352

IUPACbis(2-cyclohexyl-2-oxoethyl) carbonate
SMILESO=C(OCC(=O)C1CCCCC1)OCC(=O)C1CCCCC1
InChIInChI=1S/C17H26O5/c18-15(13-7-3-1-4-8-13)11-21-17(20)22-12-16(19)14-9-5-2-6-10-14/h13-14H,1-12H2
InChIKeyVXFHVLXFGUCAFR-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.44
Rot. Bonds6

About bis(2-cyclohexyl-2-oxoethyl) carbonate

bis(2-cyclohexyl-2-oxoethyl) carbonate (PubChem CID 123363352) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is bis(2-cyclohexyl-2-oxoethyl) carbonate.

Molecular Properties

Compound Namebis(2-cyclohexyl-2-oxoethyl) carbonate
PubChem CID123363352
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Namebis(2-cyclohexyl-2-oxoethyl) carbonate
SMILESO=C(OCC(=O)C1CCCCC1)OCC(=O)C1CCCCC1
InChIInChI=1S/C17H26O5/c18-15(13-7-3-1-4-8-13)11-21-17(20)22-12-16(19)14-9-5-2-6-10-14/h13-14H,1-12H2
InChIKeyVXFHVLXFGUCAFR-UHFFFAOYSA-N
XLogP3.44
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,2-Dicyclohexyl-2-oxoethyl) ethyl carbonate
CID 10661638
(2-Cyclohexyl-2-oxoethyl) hydrogen carbonate
CID 18683514
1,2-Dicyclohexyl-2,2-dimethoxyethanone
CID 21326019
Cyclohexyl 2-cyclohexyl-2-oxoacetate
CID 57066474
Cyclohexyloxycarbonyl cyclohexanecarboxylate
CID 57310002
Ethyl (4-oxospiro[5.5]undecan-3-yl) carbonate
CID 69550240
Ethyl (4-ethyl-2-oxocyclohexyl) carbonate
CID 69550494
(1-Cyclohexyl-1-oxobutan-2-yl) methyl carbonate
CID 139947389
(5-Ethyl-4-oxononan-3-yl) methyl carbonate
CID 139947390
Methyl 2-(4-oxocyclohexyl)ethyl carbonate
CID 140540616
1-Cyclohexyl-2,2,2-triethoxyethanone
CID 140551502
1-Cyclohexyl-2,2-diethoxybutan-1-one
CID 140551504

Frequently Asked Questions

What is the IUPAC name of bis(2-cyclohexyl-2-oxoethyl) carbonate?
The IUPAC name of bis(2-cyclohexyl-2-oxoethyl) carbonate (CID 123363352) is bis(2-cyclohexyl-2-oxoethyl) carbonate.
What is the SMILES notation for bis(2-cyclohexyl-2-oxoethyl) carbonate?
The canonical SMILES for bis(2-cyclohexyl-2-oxoethyl) carbonate is O=C(OCC(=O)C1CCCCC1)OCC(=O)C1CCCCC1.
What is the InChIKey of bis(2-cyclohexyl-2-oxoethyl) carbonate?
The InChIKey is VXFHVLXFGUCAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5/c18-15(13-7-3-1-4-8-13)11-21-17(20)22-12-16(19)14-9-5-2-6-10-14/h13-14H,1-12H2.
What are the key properties of bis(2-cyclohexyl-2-oxoethyl) carbonate?
bis(2-cyclohexyl-2-oxoethyl) carbonate has a molecular weight of 310.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-cyclohexyl-2-oxoethyl) carbonate is sourced from PubChem (CID 123363352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).