[(6R)-6-methyl-6-tricyclo[3.3.1.01,3]nonanyl] 2-methylprop-2-enoate

C14H20O2 — CID 89076806

IUPAC[(6R)-6-methyl-6-tricyclo[3.3.1.01,3]nonanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[C@]1(C)CCC23CC2CC1C3
InChIInChI=1S/C14H20O2/c1-9(2)12(15)16-13(3)4-5-14-7-10(13)6-11(14)8-14/h10-11H,1,4-8H2,2-3H3/t10?,11?,13-,14?/m1/s1
InChIKeyHXTOXGWYQGAIHS-NYFJODQOSA-N
MW220.31 g/mol
LogP3.07
Rot. Bonds2

About [(6R)-6-methyl-6-tricyclo[3.3.1.01,3]nonanyl] 2-methylprop-2-enoate

[(6R)-6-methyl-6-tricyclo[3.3.1.01,3]nonanyl] 2-methylprop-2-enoate (PubChem CID 89076806) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [(6R)-6-methyl-6-tricyclo[3.3.1.01,3]nonanyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(6R)-6-methyl-6-tricyclo[3.3.1.01,3]nonanyl] 2-methylprop-2-enoate
PubChem CID89076806
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[(6R)-6-methyl-6-tricyclo[3.3.1.01,3]nonanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[C@]1(C)CCC23CC2CC1C3
InChIInChI=1S/C14H20O2/c1-9(2)12(15)16-13(3)4-5-14-7-10(13)6-11(14)8-14/h10-11H,1,4-8H2,2-3H3/t10?,11?,13-,14?/m1/s1
InChIKeyHXTOXGWYQGAIHS-NYFJODQOSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.07
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 [(6R)-6-methyl-6-tricyclo[3.3.1.01,3]nonanyl] 2-methylprop-2-enoate?
The IUPAC name of [(6R)-6-methyl-6-tricyclo[3.3.1.01,3]nonanyl] 2-methylprop-2-enoate (CID 89076806) is [(6R)-6-methyl-6-tricyclo[3.3.1.01,3]nonanyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(6R)-6-methyl-6-tricyclo[3.3.1.01,3]nonanyl] 2-methylprop-2-enoate?
The canonical SMILES for [(6R)-6-methyl-6-tricyclo[3.3.1.01,3]nonanyl] 2-methylprop-2-enoate is C=C(C)C(=O)O[C@]1(C)CCC23CC2CC1C3.
What is the InChIKey of [(6R)-6-methyl-6-tricyclo[3.3.1.01,3]nonanyl] 2-methylprop-2-enoate?
The InChIKey is HXTOXGWYQGAIHS-NYFJODQOSA-N. The full InChI is InChI=1S/C14H20O2/c1-9(2)12(15)16-13(3)4-5-14-7-10(13)6-11(14)8-14/h10-11H,1,4-8H2,2-3H3/t10?,11?,13-,14?/m1/s1.
What are the key properties of [(6R)-6-methyl-6-tricyclo[3.3.1.01,3]nonanyl] 2-methylprop-2-enoate?
[(6R)-6-methyl-6-tricyclo[3.3.1.01,3]nonanyl] 2-methylprop-2-enoate has a molecular weight of 220.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-methyl-6-tricyclo[3.3.1.01,3]nonanyl] 2-methylprop-2-enoate is sourced from PubChem (CID 89076806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).