(1,2-dicyclohexyl-2-oxoethyl) ethyl carbonate

C17H28O4 — CID 10661638

IUPAC(1,2-dicyclohexyl-2-oxoethyl) ethyl carbonate
SMILESCCOC(=O)OC(C(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H28O4/c1-2-20-17(19)21-16(14-11-7-4-8-12-14)15(18)13-9-5-3-6-10-13/h13-14,16H,2-12H2,1H3
InChIKeySPBFMCZEPZFGPR-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.26
Rot. Bonds5

About (1,2-dicyclohexyl-2-oxoethyl) ethyl carbonate

(1,2-dicyclohexyl-2-oxoethyl) ethyl carbonate (PubChem CID 10661638) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is (1,2-dicyclohexyl-2-oxoethyl) ethyl carbonate.

Molecular Properties

Compound Name(1,2-dicyclohexyl-2-oxoethyl) ethyl carbonate
PubChem CID10661638
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name(1,2-dicyclohexyl-2-oxoethyl) ethyl carbonate
SMILESCCOC(=O)OC(C(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H28O4/c1-2-20-17(19)21-16(14-11-7-4-8-12-14)15(18)13-9-5-3-6-10-13/h13-14,16H,2-12H2,1H3
InChIKeySPBFMCZEPZFGPR-UHFFFAOYSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone
CID 102107681
[(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone
CID 12990202
1,2-Dicyclohexyl-2,2-dimethoxyethanone
CID 21326019
[3-(1-Cyclohexyl-2-methyl-1-oxopropan-2-yl)oxy-2-methylpentan-2-yl] cyclohexanecarboxylate
CID 68092015
[4-(1-Cyclohexyl-2-methyl-1-oxopropan-2-yl)oxy-2-methylbutan-2-yl] cyclohexanecarboxylate
CID 68092086
Ethyl (8-oxospiro[3.5]nonan-7-yl) carbonate
CID 69549442
(4,4-Diethyl-2-oxocyclohexyl) ethyl carbonate
CID 69549778
Ethyl (4-oxospiro[5.5]undecan-3-yl) carbonate
CID 69550240
Ethyl (4-ethyl-2-oxocyclohexyl) carbonate
CID 69550494
1,2-Dicyclohexyl-2-ethoxyethanone
CID 70193866
1,2-Dicyclohexyl-2-methoxyethanone
CID 116750886
Bis(2-cyclohexyl-2-oxoethyl) carbonate
CID 123363352

Frequently Asked Questions

What is the IUPAC name of (1,2-dicyclohexyl-2-oxoethyl) ethyl carbonate?
The IUPAC name of (1,2-dicyclohexyl-2-oxoethyl) ethyl carbonate (CID 10661638) is (1,2-dicyclohexyl-2-oxoethyl) ethyl carbonate.
What is the SMILES notation for (1,2-dicyclohexyl-2-oxoethyl) ethyl carbonate?
The canonical SMILES for (1,2-dicyclohexyl-2-oxoethyl) ethyl carbonate is CCOC(=O)OC(C(=O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of (1,2-dicyclohexyl-2-oxoethyl) ethyl carbonate?
The InChIKey is SPBFMCZEPZFGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-2-20-17(19)21-16(14-11-7-4-8-12-14)15(18)13-9-5-3-6-10-13/h13-14,16H,2-12H2,1H3.
What are the key properties of (1,2-dicyclohexyl-2-oxoethyl) ethyl carbonate?
(1,2-dicyclohexyl-2-oxoethyl) ethyl carbonate has a molecular weight of 296.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dicyclohexyl-2-oxoethyl) ethyl carbonate is sourced from PubChem (CID 10661638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).