(1-tert-butylcyclohexyl) methyl carbonate

C12H22O3 — CID 22402182

IUPAC(1-tert-butylcyclohexyl) methyl carbonate
SMILESCOC(=O)OC1(C(C)(C)C)CCCCC1
InChIInChI=1S/C12H22O3/c1-11(2,3)12(15-10(13)14-4)8-6-5-7-9-12/h5-9H2,1-4H3
InChIKeyQQJAKSXGWAROEM-UHFFFAOYSA-N
MW214.30 g/mol
LogP3.52
Rot. Bonds1

About (1-tert-butylcyclohexyl) methyl carbonate

(1-tert-butylcyclohexyl) methyl carbonate (PubChem CID 22402182) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (1-tert-butylcyclohexyl) methyl carbonate.

Molecular Properties

Compound Name(1-tert-butylcyclohexyl) methyl carbonate
PubChem CID22402182
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(1-tert-butylcyclohexyl) methyl carbonate
SMILESCOC(=O)OC1(C(C)(C)C)CCCCC1
InChIInChI=1S/C12H22O3/c1-11(2,3)12(15-10(13)14-4)8-6-5-7-9-12/h5-9H2,1-4H3
InChIKeyQQJAKSXGWAROEM-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylcyclohexyl) methyl carbonate?
The IUPAC name of (1-tert-butylcyclohexyl) methyl carbonate (CID 22402182) is (1-tert-butylcyclohexyl) methyl carbonate.
What is the SMILES notation for (1-tert-butylcyclohexyl) methyl carbonate?
The canonical SMILES for (1-tert-butylcyclohexyl) methyl carbonate is COC(=O)OC1(C(C)(C)C)CCCCC1.
What is the InChIKey of (1-tert-butylcyclohexyl) methyl carbonate?
The InChIKey is QQJAKSXGWAROEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(2,3)12(15-10(13)14-4)8-6-5-7-9-12/h5-9H2,1-4H3.
What are the key properties of (1-tert-butylcyclohexyl) methyl carbonate?
(1-tert-butylcyclohexyl) methyl carbonate has a molecular weight of 214.30 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylcyclohexyl) methyl carbonate is sourced from PubChem (CID 22402182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).