2-(4-tetracyclo[4.3.1.02,4.02,8]decanyl)ethyl 2-methylprop-2-enoate

C16H22O2 — CID 129102806

IUPAC2-(4-tetracyclo[4.3.1.02,4.02,8]decanyl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC12CC3CC4CC(C3)C41C2
InChIInChI=1S/C16H22O2/c1-10(2)14(17)18-4-3-15-8-11-5-12-7-13(6-11)16(12,15)9-15/h11-13H,1,3-9H2,2H3
InChIKeyWRFHOYDMEXZQMA-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.32
Rot. Bonds4

About 2-(4-tetracyclo[4.3.1.02,4.02,8]decanyl)ethyl 2-methylprop-2-enoate

2-(4-tetracyclo[4.3.1.02,4.02,8]decanyl)ethyl 2-methylprop-2-enoate (PubChem CID 129102806) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(4-tetracyclo[4.3.1.02,4.02,8]decanyl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(4-tetracyclo[4.3.1.02,4.02,8]decanyl)ethyl 2-methylprop-2-enoate
PubChem CID129102806
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-(4-tetracyclo[4.3.1.02,4.02,8]decanyl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC12CC3CC4CC(C3)C41C2
InChIInChI=1S/C16H22O2/c1-10(2)14(17)18-4-3-15-8-11-5-12-7-13(6-11)16(12,15)9-15/h11-13H,1,3-9H2,2H3
InChIKeyWRFHOYDMEXZQMA-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-O-(1-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate
CID 90440465
[3,5-bis(2-methylprop-2-enoyloxymethyl)-1-adamantyl]methyl 2-methylprop-2-enoate
CID 58325619
2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]oxetan-2-yl]ethyl 2-methylprop-2-enoate
CID 151986382
(2,2-dihydroxy-1-adamantyl) 2-methylprop-2-enoate
CID 66666665
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate
CID 66606377
2-hydroperoxyethyl 2-methylprop-2-enoate
CID 18987502
adamantane;ethyl 2-methylprop-2-enoate
CID 175529705
[2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 58106017
2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate
CID 123204528
[2-[2-(2-methyl-2-adamantyl)acetyl]oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 151559198
[2-[2-(1-adamantylmethoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 58106029

Frequently Asked Questions

What is the IUPAC name of 2-(4-tetracyclo[4.3.1.02,4.02,8]decanyl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(4-tetracyclo[4.3.1.02,4.02,8]decanyl)ethyl 2-methylprop-2-enoate (CID 129102806) is 2-(4-tetracyclo[4.3.1.02,4.02,8]decanyl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(4-tetracyclo[4.3.1.02,4.02,8]decanyl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(4-tetracyclo[4.3.1.02,4.02,8]decanyl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC12CC3CC4CC(C3)C41C2.
What is the InChIKey of 2-(4-tetracyclo[4.3.1.02,4.02,8]decanyl)ethyl 2-methylprop-2-enoate?
The InChIKey is WRFHOYDMEXZQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-10(2)14(17)18-4-3-15-8-11-5-12-7-13(6-11)16(12,15)9-15/h11-13H,1,3-9H2,2H3.
What are the key properties of 2-(4-tetracyclo[4.3.1.02,4.02,8]decanyl)ethyl 2-methylprop-2-enoate?
2-(4-tetracyclo[4.3.1.02,4.02,8]decanyl)ethyl 2-methylprop-2-enoate has a molecular weight of 246.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tetracyclo[4.3.1.02,4.02,8]decanyl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 129102806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).