2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid

C15H24O2Si — CID 2827200

IUPAC2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
SMILESCCCC12C3C=CC(C3)C1([Si](C)(C)C)C2C(=O)O
InChIInChI=1S/C15H24O2Si/c1-5-8-14-10-6-7-11(9-10)15(14,18(2,3)4)12(14)13(16)17/h6-7,10-12H,5,8-9H2,1-4H3,(H,16,17)
InChIKeyHGJMQOCTHCQGOS-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.77
Rot. Bonds4

About 2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid

2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid (PubChem CID 2827200) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid.

Molecular Properties

Compound Name2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
PubChem CID2827200
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Name2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
SMILESCCCC12C3C=CC(C3)C1([Si](C)(C)C)C2C(=O)O
InChIInChI=1S/C15H24O2Si/c1-5-8-14-10-6-7-11(9-10)15(14,18(2,3)4)12(14)13(16)17/h6-7,10-12H,5,8-9H2,1-4H3,(H,16,17)
InChIKeyHGJMQOCTHCQGOS-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid with MolForge

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Related Compounds

2-Methyl-4-(trimethylsilyl)tricyclo[3.2.1.0~2,4~]oct-6-ene-3-carboxylic acid
CID 16468904
Tricyclo[3.2.1.0~2,4~]oct-6-ene-3-carboxylic acid
CID 253320
Tricyclo[3.2.1.02,7]oct-3-ene-1-carboxylic acid
CID 13998174
2-Methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
CID 74040120
(1S,2S,5R)-tricyclo[3.2.1.02,7]oct-3-ene-1-carboxylic acid
CID 134988164
3-Methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
CID 296961
Qvrvpyjzqouhpe-yaydynkssa-
CID 23265361
Frgmbcawyubfti-qknassdjsa-
CID 23265769
Mdavdhkavlzhhs-qxjjfiizsa-
CID 23265872
Hgjmqocthcqgos-sqlgejsksa-
CID 23265933
Mcfizhmkkgqdov-fdicvxpisa-
CID 23265970
2-Tert-butyl-3-(trimethylsilylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
CID 18755851

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid?
The IUPAC name of 2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid (CID 2827200) is 2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid.
What is the SMILES notation for 2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid?
The canonical SMILES for 2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid is CCCC12C3C=CC(C3)C1([Si](C)(C)C)C2C(=O)O.
What is the InChIKey of 2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid?
The InChIKey is HGJMQOCTHCQGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-5-8-14-10-6-7-11(9-10)15(14,18(2,3)4)12(14)13(16)17/h6-7,10-12H,5,8-9H2,1-4H3,(H,16,17).
What are the key properties of 2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid?
2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid has a molecular weight of 264.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid is sourced from PubChem (CID 2827200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).