cyclohexylmethyl 2-methylpropyl carbonate

C12H22O3 — CID 68952773

IUPACcyclohexylmethyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OCC1CCCCC1
InChIInChI=1S/C12H22O3/c1-10(2)8-14-12(13)15-9-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyFJMBJSZKZAOJSK-UHFFFAOYSA-N
MW214.30 g/mol
LogP3.38
Rot. Bonds4

About cyclohexylmethyl 2-methylpropyl carbonate

cyclohexylmethyl 2-methylpropyl carbonate (PubChem CID 68952773) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is cyclohexylmethyl 2-methylpropyl carbonate.

Molecular Properties

Compound Namecyclohexylmethyl 2-methylpropyl carbonate
PubChem CID68952773
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namecyclohexylmethyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OCC1CCCCC1
InChIInChI=1S/C12H22O3/c1-10(2)8-14-12(13)15-9-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyFJMBJSZKZAOJSK-UHFFFAOYSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diethylhexyl Carbonate
CID 85781
Bis-Propylheptyl Carbonate
CID 87573553
Cyclohexylmethyl acetate
CID 244762
(Trimethoxymethyl)cyclohexane
CID 6950209
Cyclohexane, (dimethoxymethyl)-
CID 10942729
Cyclohexylmethane-1,1-diol diacetate
CID 537139
2-Methylcyclohexanone dimethyl acetal
CID 10374699
Cyclohexylacetaldehyde dimethyl acetal
CID 11052116
1-Cyclohexylethyl ethyl carbonate
CID 3023090
Carbonic acid, ethyl cyclohexylmethyl ester
CID 23388344
Carbonic acid, ethyl 2-ethylhexyl ester
CID 54194012
Carbonic acid, propyl cyclohexylmethyl ester
CID 54355814

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-methylpropyl carbonate?
The IUPAC name of cyclohexylmethyl 2-methylpropyl carbonate (CID 68952773) is cyclohexylmethyl 2-methylpropyl carbonate.
What is the SMILES notation for cyclohexylmethyl 2-methylpropyl carbonate?
The canonical SMILES for cyclohexylmethyl 2-methylpropyl carbonate is CC(C)COC(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 2-methylpropyl carbonate?
The InChIKey is FJMBJSZKZAOJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-10(2)8-14-12(13)15-9-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of cyclohexylmethyl 2-methylpropyl carbonate?
cyclohexylmethyl 2-methylpropyl carbonate has a molecular weight of 214.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-methylpropyl carbonate is sourced from PubChem (CID 68952773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).