[(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate

C12H20O3 — CID 11241316

IUPAC[(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate
SMILESCOC(=O)OC(C)/C=C/C1CCCCC1
InChIInChI=1S/C12H20O3/c1-10(15-12(13)14-2)8-9-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3/b9-8+
InChIKeyBYBBQGVBENDZIG-CMDGGOBGSA-N
MW212.29 g/mol
LogP3.29
Rot. Bonds3

About [(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate

[(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate (PubChem CID 11241316) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate.

Molecular Properties

Compound Name[(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate
PubChem CID11241316
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name[(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate
SMILESCOC(=O)OC(C)/C=C/C1CCCCC1
InChIInChI=1S/C12H20O3/c1-10(15-12(13)14-2)8-9-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3/b9-8+
InChIKeyBYBBQGVBENDZIG-CMDGGOBGSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane
CID 11130051
(E)-4-cycloheptylbut-3-en-2-amine
CID 103091494
dimethyl 2-[(E)-3-cyclohexylprop-2-enyl]propanedioate
CID 102464212
methyl (E)-3-cyclobutylprop-2-enoate
CID 79872692
[(E)-3-methylbut-1-enyl]cyclobutane
CID 171745046
2-methylpropyl (E)-3-cycloheptylprop-2-enoate
CID 11629960
(E)-1-cyclohexyl-5-methylhex-1-en-3-one
CID 11333035
(E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide
CID 138512244
[(Z)-2-cyclohexylethenyl] acetate
CID 13396784
[3-chloro-2,2-bis(1-chloroethyl)-1-cyclohexylbutyl] methyl carbonate
CID 20558382
methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate
CID 22862396
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096

Frequently Asked Questions

What is the IUPAC name of [(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate?
The IUPAC name of [(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate (CID 11241316) is [(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate.
What is the SMILES notation for [(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate?
The canonical SMILES for [(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate is COC(=O)OC(C)/C=C/C1CCCCC1.
What is the InChIKey of [(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate?
The InChIKey is BYBBQGVBENDZIG-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H20O3/c1-10(15-12(13)14-2)8-9-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3/b9-8+.
What are the key properties of [(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate?
[(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate has a molecular weight of 212.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate is sourced from PubChem (CID 11241316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).