2-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate

C16H22O3 — CID 121494099

IUPAC2-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC1C[C@@H]2C[C@H]1C1C=CCC12
InChIInChI=1S/C16H22O3/c1-10(2)16(17)19-7-6-18-15-9-11-8-14(15)13-5-3-4-12(11)13/h3,5,11-15H,1,4,6-9H2,2H3/t11-,12?,13?,14-,15?/m0/s1
InChIKeyYSAZPIOUAPMLDG-PJQWEWFWSA-N
MW262.35 g/mol
LogP2.72
Rot. Bonds5

About 2-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate

2-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate (PubChem CID 121494099) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate
PubChem CID121494099
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC1C[C@@H]2C[C@H]1C1C=CCC12
InChIInChI=1S/C16H22O3/c1-10(2)16(17)19-7-6-18-15-9-11-8-14(15)13-5-3-4-12(11)13/h3,5,11-15H,1,4,6-9H2,2H3/t11-,12?,13?,14-,15?/m0/s1
InChIKeyYSAZPIOUAPMLDG-PJQWEWFWSA-N
XLogP2.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate (CID 121494099) is 2-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC1C[C@@H]2C[C@H]1C1C=CCC12.
What is the InChIKey of 2-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate?
The InChIKey is YSAZPIOUAPMLDG-PJQWEWFWSA-N. The full InChI is InChI=1S/C16H22O3/c1-10(2)16(17)19-7-6-18-15-9-11-8-14(15)13-5-3-4-12(11)13/h3,5,11-15H,1,4,6-9H2,2H3/t11-,12?,13?,14-,15?/m0/s1.
What are the key properties of 2-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate?
2-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate has a molecular weight of 262.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 121494099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).