[2-(2-methylbut-3-enoyloxy)cyclohexyl] 2-methylbut-3-enoate

C16H24O4 — CID 24958286

IUPAC[2-(2-methylbut-3-enoyloxy)cyclohexyl] 2-methylbut-3-enoate
SMILESC=CC(C)C(=O)OC1CCCCC1OC(=O)C(C)C=C
InChIInChI=1S/C16H24O4/c1-5-11(3)15(17)19-13-9-7-8-10-14(13)20-16(18)12(4)6-2/h5-6,11-14H,1-2,7-10H2,3-4H3
InChIKeyJRELAZKPWOHFGD-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.03
Rot. Bonds6

About [2-(2-methylbut-3-enoyloxy)cyclohexyl] 2-methylbut-3-enoate

[2-(2-methylbut-3-enoyloxy)cyclohexyl] 2-methylbut-3-enoate (PubChem CID 24958286) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is [2-(2-methylbut-3-enoyloxy)cyclohexyl] 2-methylbut-3-enoate.

Molecular Properties

Compound Name[2-(2-methylbut-3-enoyloxy)cyclohexyl] 2-methylbut-3-enoate
PubChem CID24958286
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name[2-(2-methylbut-3-enoyloxy)cyclohexyl] 2-methylbut-3-enoate
SMILESC=CC(C)C(=O)OC1CCCCC1OC(=O)C(C)C=C
InChIInChI=1S/C16H24O4/c1-5-11(3)15(17)19-13-9-7-8-10-14(13)20-16(18)12(4)6-2/h5-6,11-14H,1-2,7-10H2,3-4H3
InChIKeyJRELAZKPWOHFGD-UHFFFAOYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylbut-3-enoyloxy)cyclohexyl] 2-methylbut-3-enoate?
The IUPAC name of [2-(2-methylbut-3-enoyloxy)cyclohexyl] 2-methylbut-3-enoate (CID 24958286) is [2-(2-methylbut-3-enoyloxy)cyclohexyl] 2-methylbut-3-enoate.
What is the SMILES notation for [2-(2-methylbut-3-enoyloxy)cyclohexyl] 2-methylbut-3-enoate?
The canonical SMILES for [2-(2-methylbut-3-enoyloxy)cyclohexyl] 2-methylbut-3-enoate is C=CC(C)C(=O)OC1CCCCC1OC(=O)C(C)C=C.
What is the InChIKey of [2-(2-methylbut-3-enoyloxy)cyclohexyl] 2-methylbut-3-enoate?
The InChIKey is JRELAZKPWOHFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-5-11(3)15(17)19-13-9-7-8-10-14(13)20-16(18)12(4)6-2/h5-6,11-14H,1-2,7-10H2,3-4H3.
What are the key properties of [2-(2-methylbut-3-enoyloxy)cyclohexyl] 2-methylbut-3-enoate?
[2-(2-methylbut-3-enoyloxy)cyclohexyl] 2-methylbut-3-enoate has a molecular weight of 280.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylbut-3-enoyloxy)cyclohexyl] 2-methylbut-3-enoate is sourced from PubChem (CID 24958286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).