[2-methylprop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] 2-methylprop-2-enoate

C18H24O4 — CID 19993420

IUPAC[2-methylprop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OC(=O)C(=C)C)C1=CCC(C(=C)C)CC1
InChIInChI=1S/C18H24O4/c1-11(2)14-7-9-15(10-8-14)18(21-16(19)12(3)4)22-17(20)13(5)6/h9,14,18H,1,3,5,7-8,10H2,2,4,6H3
InChIKeyKALURYRVYGSFOC-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.85
Rot. Bonds6

About [2-methylprop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] 2-methylprop-2-enoate

[2-methylprop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] 2-methylprop-2-enoate (PubChem CID 19993420) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is [2-methylprop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methylprop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] 2-methylprop-2-enoate
PubChem CID19993420
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name[2-methylprop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OC(=O)C(=C)C)C1=CCC(C(=C)C)CC1
InChIInChI=1S/C18H24O4/c1-11(2)14-7-9-15(10-8-14)18(21-16(19)12(3)4)22-17(20)13(5)6/h9,14,18H,1,3,5,7-8,10H2,2,4,6H3
InChIKeyKALURYRVYGSFOC-UHFFFAOYSA-N
XLogP3.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-methylprop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] 2-methylprop-2-enoate?
The IUPAC name of [2-methylprop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] 2-methylprop-2-enoate (CID 19993420) is [2-methylprop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methylprop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methylprop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(OC(=O)C(=C)C)C1=CCC(C(=C)C)CC1.
What is the InChIKey of [2-methylprop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] 2-methylprop-2-enoate?
The InChIKey is KALURYRVYGSFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-11(2)14-7-9-15(10-8-14)18(21-16(19)12(3)4)22-17(20)13(5)6/h9,14,18H,1,3,5,7-8,10H2,2,4,6H3.
What are the key properties of [2-methylprop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] 2-methylprop-2-enoate?
[2-methylprop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] 2-methylprop-2-enoate has a molecular weight of 304.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylprop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] 2-methylprop-2-enoate is sourced from PubChem (CID 19993420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).