2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate

C17H26O2 — CID 22898239

IUPAC2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CC2CC1C1CCCC21
InChIInChI=1S/C17H26O2/c1-10(2)16(18)19-17(3,4)15-9-11-8-14(15)13-7-5-6-12(11)13/h11-15H,1,5-9H2,2-4H3
InChIKeyBIRWGYVLCHQDBW-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.96
Rot. Bonds3

About 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate

2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 22898239) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate
PubChem CID22898239
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CC2CC1C1CCCC21
InChIInChI=1S/C17H26O2/c1-10(2)16(18)19-17(3,4)15-9-11-8-14(15)13-7-5-6-12(11)13/h11-15H,1,5-9H2,2-4H3
InChIKeyBIRWGYVLCHQDBW-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.96
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

2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate
CID 170530088
[(1S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl] 2-methylprop-2-enoate
CID 102408492
2-cyclopentylpropan-2-yl 2-methylprop-2-enoate
CID 59130085
2,4-dimethyl-4-(8-tricyclo[5.2.1.02,6]decanyl)pent-2-enoic acid
CID 66772616
2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
CID 139975270
1,1-dicyclohexylethyl 2-methylprop-2-enoate
CID 22090694
8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane
CID 123684704
2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl acetate
CID 20736138
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
2-(3-tricyclo[5.3.0.03,9]decanyl)propan-2-yl 2-methylprop-2-enoate
CID 91020888
(2R,6R,8S)-tricyclo[5.2.1.02,6]decan-8-ol
CID 91749092
(1R,2S,6S,7R,8S)-tricyclo[5.2.1.02,6]decan-8-ol
CID 21118867

Frequently Asked Questions

What is the IUPAC name of 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate (CID 22898239) is 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C1CC2CC1C1CCCC21.
What is the InChIKey of 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is BIRWGYVLCHQDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-10(2)16(18)19-17(3,4)15-9-11-8-14(15)13-7-5-6-12(11)13/h11-15H,1,5-9H2,2-4H3.
What are the key properties of 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate?
2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 262.39 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 22898239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).