[(1R,6R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate

C19H30O2 — CID 11716232

IUPAC[(1R,6R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate
SMILESCC(C)[C@@H]1CC[C@@H](C)[C@@]23CC=C(OC(=O)C(C)(C)C)C2[C@@H]13
InChIInChI=1S/C19H30O2/c1-11(2)13-8-7-12(3)19-10-9-14(16(19)15(13)19)21-17(20)18(4,5)6/h9,11-13,15-16H,7-8,10H2,1-6H3/t12-,13+,15-,16?,19-/m1/s1
InChIKeyLJFIRKWZZUNXIL-UOKUJVHXSA-N
MW290.45 g/mol
LogP4.80
Rot. Bonds2

About [(1R,6R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate

[(1R,6R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate (PubChem CID 11716232) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is [(1R,6R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(1R,6R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate
PubChem CID11716232
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name[(1R,6R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate
SMILESCC(C)[C@@H]1CC[C@@H](C)[C@@]23CC=C(OC(=O)C(C)(C)C)C2[C@@H]13
InChIInChI=1S/C19H30O2/c1-11(2)13-8-7-12(3)19-10-9-14(16(19)15(13)19)21-17(20)18(4,5)6/h9,11-13,15-16H,7-8,10H2,1-6H3/t12-,13+,15-,16?,19-/m1/s1
InChIKeyLJFIRKWZZUNXIL-UOKUJVHXSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1R,6R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,6R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(1R,6R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate (CID 11716232) is [(1R,6R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(1R,6R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(1R,6R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate is CC(C)[C@@H]1CC[C@@H](C)[C@@]23CC=C(OC(=O)C(C)(C)C)C2[C@@H]13.
What is the InChIKey of [(1R,6R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate?
The InChIKey is LJFIRKWZZUNXIL-UOKUJVHXSA-N. The full InChI is InChI=1S/C19H30O2/c1-11(2)13-8-7-12(3)19-10-9-14(16(19)15(13)19)21-17(20)18(4,5)6/h9,11-13,15-16H,7-8,10H2,1-6H3/t12-,13+,15-,16?,19-/m1/s1.
What are the key properties of [(1R,6R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate?
[(1R,6R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate has a molecular weight of 290.45 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11716232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).