(1S,2S,3R,4S,5R)-2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid

C15H24O2Si — CID 23265933

IUPAC(1S,2S,3R,4S,5R)-2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
SMILESCCC[C@@]12[C@@H]3C=C[C@@H](C3)[C@]1([Si](C)(C)C)[C@H]2C(=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)/t10-,11+,12+,14+,15+/m1/s1
InChIKeyHGJMQOCTHCQGOS-SQLGEJSKSA-N
MW264.44 g/mol
LogP3.77
Rot. Bonds4

About (1S,2S,3R,4S,5R)-2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid

(1S,2S,3R,4S,5R)-2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid (PubChem CID 23265933) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is (1S,2S,3R,4S,5R)-2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,3R,4S,5R)-2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
PubChem CID23265933
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Name(1S,2S,3R,4S,5R)-2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
SMILESCCC[C@@]12[C@@H]3C=C[C@@H](C3)[C@]1([Si](C)(C)C)[C@H]2C(=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)/t10-,11+,12+,14+,15+/m1/s1
InChIKeyHGJMQOCTHCQGOS-SQLGEJSKSA-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 (1S,2S,3R,4S,5R)-2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 16468904
CID 16468904
CID 253320
CID 253320
CID 13998174
CID 13998174
CID 74040120
CID 74040120
CID 134988164
CID 134988164
CID 296961
CID 296961
CID 2827200
CID 2827200
CID 23265361
CID 23265361
CID 23265769
CID 23265769
CID 23265872
CID 23265872
CID 23265970
CID 23265970
CID 18755851
CID 18755851

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4S,5R)-2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid?
The IUPAC name of (1S,2S,3R,4S,5R)-2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid (CID 23265933) is (1S,2S,3R,4S,5R)-2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid.
What is the SMILES notation for (1S,2S,3R,4S,5R)-2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid?
The canonical SMILES for (1S,2S,3R,4S,5R)-2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid is CCC[C@@]12[C@@H]3C=C[C@@H](C3)[C@]1([Si](C)(C)C)[C@H]2C(=O)O.
What is the InChIKey of (1S,2S,3R,4S,5R)-2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid?
The InChIKey is HGJMQOCTHCQGOS-SQLGEJSKSA-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)/t10-,11+,12+,14+,15+/m1/s1.
What are the key properties of (1S,2S,3R,4S,5R)-2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid?
(1S,2S,3R,4S,5R)-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 (1S,2S,3R,4S,5R)-2-propyl-4-trimethylsilyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid is sourced from PubChem (CID 23265933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).