[1-prop-2-enoyloxy-1-(1-tricyclo[5.2.1.02,6]decanyl)ethyl] 2-methylprop-2-enoate

C19H26O4 — CID 90686956

IUPAC[1-prop-2-enoyloxy-1-(1-tricyclo[5.2.1.02,6]decanyl)ethyl] 2-methylprop-2-enoate
SMILESC=CC(=O)OC(C)(OC(=O)C(=C)C)C12CCC(C1)C1CCCC12
InChIInChI=1S/C19H26O4/c1-5-16(20)22-18(4,23-17(21)12(2)3)19-10-9-13(11-19)14-7-6-8-15(14)19/h5,13-15H,1-2,6-11H2,3-4H3
InChIKeyKXONYMGBOJPXQX-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.77
Rot. Bonds5

About [1-prop-2-enoyloxy-1-(1-tricyclo[5.2.1.02,6]decanyl)ethyl] 2-methylprop-2-enoate

[1-prop-2-enoyloxy-1-(1-tricyclo[5.2.1.02,6]decanyl)ethyl] 2-methylprop-2-enoate (PubChem CID 90686956) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is [1-prop-2-enoyloxy-1-(1-tricyclo[5.2.1.02,6]decanyl)ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-prop-2-enoyloxy-1-(1-tricyclo[5.2.1.02,6]decanyl)ethyl] 2-methylprop-2-enoate
PubChem CID90686956
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name[1-prop-2-enoyloxy-1-(1-tricyclo[5.2.1.02,6]decanyl)ethyl] 2-methylprop-2-enoate
SMILESC=CC(=O)OC(C)(OC(=O)C(=C)C)C12CCC(C1)C1CCCC12
InChIInChI=1S/C19H26O4/c1-5-16(20)22-18(4,23-17(21)12(2)3)19-10-9-13(11-19)14-7-6-8-15(14)19/h5,13-15H,1-2,6-11H2,3-4H3
InChIKeyKXONYMGBOJPXQX-UHFFFAOYSA-N
XLogP3.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.77
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate
CID 22992618
2-[(4aR,8aS,9aS,10aR)-2,3,4,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-anthracen-4a-yl]propan-2-yl prop-2-enoate
CID 70032504
2-cyclopentylpropan-2-yl 2-methylprop-2-enoate
CID 59130085
2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate
CID 91020888
2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
CID 139975270
2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate
CID 22898239
1-tricyclo[5.2.1.02,6]decanyl 3-hydroxy-2-methylprop-2-enoate
CID 140556133
(1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
CID 155757011
2-(3,3-difluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate
CID 155355016
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
tert-butyl prop-2-enoate;cyclopentatetracontane
CID 174869509
tert-butyl prop-2-enoate;cycloicosane
CID 174934602

Frequently Asked Questions

What is the IUPAC name of [1-prop-2-enoyloxy-1-(1-tricyclo[5.2.1.02,6]decanyl)ethyl] 2-methylprop-2-enoate?
The IUPAC name of [1-prop-2-enoyloxy-1-(1-tricyclo[5.2.1.02,6]decanyl)ethyl] 2-methylprop-2-enoate (CID 90686956) is [1-prop-2-enoyloxy-1-(1-tricyclo[5.2.1.02,6]decanyl)ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-prop-2-enoyloxy-1-(1-tricyclo[5.2.1.02,6]decanyl)ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-prop-2-enoyloxy-1-(1-tricyclo[5.2.1.02,6]decanyl)ethyl] 2-methylprop-2-enoate is C=CC(=O)OC(C)(OC(=O)C(=C)C)C12CCC(C1)C1CCCC12.
What is the InChIKey of [1-prop-2-enoyloxy-1-(1-tricyclo[5.2.1.02,6]decanyl)ethyl] 2-methylprop-2-enoate?
The InChIKey is KXONYMGBOJPXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c1-5-16(20)22-18(4,23-17(21)12(2)3)19-10-9-13(11-19)14-7-6-8-15(14)19/h5,13-15H,1-2,6-11H2,3-4H3.
What are the key properties of [1-prop-2-enoyloxy-1-(1-tricyclo[5.2.1.02,6]decanyl)ethyl] 2-methylprop-2-enoate?
[1-prop-2-enoyloxy-1-(1-tricyclo[5.2.1.02,6]decanyl)ethyl] 2-methylprop-2-enoate has a molecular weight of 318.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-prop-2-enoyloxy-1-(1-tricyclo[5.2.1.02,6]decanyl)ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 90686956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).