(1-tert-butylcyclohexyl) ethyl carbonate

C13H24O3 — CID 58430320

IUPAC(1-tert-butylcyclohexyl) ethyl carbonate
SMILESCCOC(=O)OC1(C(C)(C)C)CCCCC1
InChIInChI=1S/C13H24O3/c1-5-15-11(14)16-13(12(2,3)4)9-7-6-8-10-13/h5-10H2,1-4H3
InChIKeyIRUXWAUNQLPIJN-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.91
Rot. Bonds2

About (1-tert-butylcyclohexyl) ethyl carbonate

(1-tert-butylcyclohexyl) ethyl carbonate (PubChem CID 58430320) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (1-tert-butylcyclohexyl) ethyl carbonate.

Molecular Properties

Compound Name(1-tert-butylcyclohexyl) ethyl carbonate
PubChem CID58430320
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(1-tert-butylcyclohexyl) ethyl carbonate
SMILESCCOC(=O)OC1(C(C)(C)C)CCCCC1
InChIInChI=1S/C13H24O3/c1-5-15-11(14)16-13(12(2,3)4)9-7-6-8-10-13/h5-10H2,1-4H3
InChIKeyIRUXWAUNQLPIJN-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester
CID 105664
2-t-Butylcyclohexyl methyl carbonate
CID 20362231
4-tert-Butylcyclohexanone diethyl acetal
CID 137253
Tert.-butyl-ethylhexylcarbonate
CID 129845923
5,5-Dimethyl-2,4-dioxaspiro[5.5]undecane
CID 159577595
(4-Tert-butylcyclohexyl) tert-butylperoxy carbonate
CID 20303226
(4-Tert-butylcyclohexyl) methyl carbonate
CID 20362221
(4-Tert-butylcyclohexyl) ethyl carbonate
CID 20362240
Tert-butyl (3,3,5-trimethylcyclohexyl) carbonate
CID 20362257
methyl [(3R)-3-methyl-3-propan-2-ylcyclohexyl] carbonate
CID 20611044
(1-Tert-butylcyclohexyl) ethenyl carbonate
CID 21647318
Ethyl (3-methyl-3-propan-2-ylcyclohexyl) carbonate
CID 22044535

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylcyclohexyl) ethyl carbonate?
The IUPAC name of (1-tert-butylcyclohexyl) ethyl carbonate (CID 58430320) is (1-tert-butylcyclohexyl) ethyl carbonate.
What is the SMILES notation for (1-tert-butylcyclohexyl) ethyl carbonate?
The canonical SMILES for (1-tert-butylcyclohexyl) ethyl carbonate is CCOC(=O)OC1(C(C)(C)C)CCCCC1.
What is the InChIKey of (1-tert-butylcyclohexyl) ethyl carbonate?
The InChIKey is IRUXWAUNQLPIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-5-15-11(14)16-13(12(2,3)4)9-7-6-8-10-13/h5-10H2,1-4H3.
What are the key properties of (1-tert-butylcyclohexyl) ethyl carbonate?
(1-tert-butylcyclohexyl) ethyl carbonate has a molecular weight of 228.33 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylcyclohexyl) ethyl carbonate is sourced from PubChem (CID 58430320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).