(2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) 2-methylprop-2-enoate

C15H22O2 — CID 129103079

IUPAC(2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CCC23C(C)(C)C13C
InChIInChI=1S/C15H22O2/c1-9(2)12(16)17-11-8-10-6-7-15(10)13(3,4)14(11,15)5/h10-11H,1,6-8H2,2-5H3
InChIKeyQEBBKGSYYZQDLJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.32
Rot. Bonds2

About (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) 2-methylprop-2-enoate

(2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) 2-methylprop-2-enoate (PubChem CID 129103079) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) 2-methylprop-2-enoate
PubChem CID129103079
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CCC23C(C)(C)C13C
InChIInChI=1S/C15H22O2/c1-9(2)12(16)17-11-8-10-6-7-15(10)13(3,4)14(11,15)5/h10-11H,1,6-8H2,2-5H3
InChIKeyQEBBKGSYYZQDLJ-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
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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Frequently Asked Questions

What is the IUPAC name of (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) 2-methylprop-2-enoate?
The IUPAC name of (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) 2-methylprop-2-enoate (CID 129103079) is (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) 2-methylprop-2-enoate?
The canonical SMILES for (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC2CCC23C(C)(C)C13C.
What is the InChIKey of (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) 2-methylprop-2-enoate?
The InChIKey is QEBBKGSYYZQDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-9(2)12(16)17-11-8-10-6-7-15(10)13(3,4)14(11,15)5/h10-11H,1,6-8H2,2-5H3.
What are the key properties of (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) 2-methylprop-2-enoate?
(2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) 2-methylprop-2-enoate has a molecular weight of 234.34 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 129103079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).