3-[7-(3-chloropropyl)-1-tricyclo[4.1.0.02,7]heptanyl]prop-1-ynyl-trimethylsilane

C16H25ClSi — CID 15807318

IUPAC3-[7-(3-chloropropyl)-1-tricyclo[4.1.0.02,7]heptanyl]prop-1-ynyl-trimethylsilane
SMILESC[Si](C)(C)C#CCC12C3CCCC1C32CCCCl
InChIInChI=1S/C16H25ClSi/c1-18(2,3)12-6-10-16-13-7-4-8-14(16)15(13,16)9-5-11-17/h13-14H,4-5,7-11H2,1-3H3
InChIKeyRNPJPDWOCKZDEC-UHFFFAOYSA-N
MW280.91 g/mol
LogP4.69
Rot. Bonds4

About 3-[7-(3-chloropropyl)-1-tricyclo[4.1.0.02,7]heptanyl]prop-1-ynyl-trimethylsilane

3-[7-(3-chloropropyl)-1-tricyclo[4.1.0.02,7]heptanyl]prop-1-ynyl-trimethylsilane (PubChem CID 15807318) has the molecular formula C16H25ClSi and a molecular weight of 280.91 g/mol. Its IUPAC name is 3-[7-(3-chloropropyl)-1-tricyclo[4.1.0.02,7]heptanyl]prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-[7-(3-chloropropyl)-1-tricyclo[4.1.0.02,7]heptanyl]prop-1-ynyl-trimethylsilane
PubChem CID15807318
Molecular FormulaC16H25ClSi
Molecular Weight280.91 g/mol
Exact Mass280.14
IUPAC Name3-[7-(3-chloropropyl)-1-tricyclo[4.1.0.02,7]heptanyl]prop-1-ynyl-trimethylsilane
SMILESC[Si](C)(C)C#CCC12C3CCCC1C32CCCCl
InChIInChI=1S/C16H25ClSi/c1-18(2,3)12-6-10-16-13-7-4-8-14(16)15(13,16)9-5-11-17/h13-14H,4-5,7-11H2,1-3H3
InChIKeyRNPJPDWOCKZDEC-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.91
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(3,3-Dimethylbut-1-ynyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl-trimethylsilane
CID 15758537
2-(7-Chloro-1-tricyclo[4.1.0.02,7]heptanyl)ethynyl-trimethylsilane
CID 101915086
2-(7-Hex-1-ynyl-1-tricyclo[4.1.0.02,7]heptanyl)ethynyl-trimethylsilane
CID 101915096

Frequently Asked Questions

What is the IUPAC name of 3-[7-(3-chloropropyl)-1-tricyclo[4.1.0.02,7]heptanyl]prop-1-ynyl-trimethylsilane?
The IUPAC name of 3-[7-(3-chloropropyl)-1-tricyclo[4.1.0.02,7]heptanyl]prop-1-ynyl-trimethylsilane (CID 15807318) is 3-[7-(3-chloropropyl)-1-tricyclo[4.1.0.02,7]heptanyl]prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-[7-(3-chloropropyl)-1-tricyclo[4.1.0.02,7]heptanyl]prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3-[7-(3-chloropropyl)-1-tricyclo[4.1.0.02,7]heptanyl]prop-1-ynyl-trimethylsilane is C[Si](C)(C)C#CCC12C3CCCC1C32CCCCl.
What is the InChIKey of 3-[7-(3-chloropropyl)-1-tricyclo[4.1.0.02,7]heptanyl]prop-1-ynyl-trimethylsilane?
The InChIKey is RNPJPDWOCKZDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClSi/c1-18(2,3)12-6-10-16-13-7-4-8-14(16)15(13,16)9-5-11-17/h13-14H,4-5,7-11H2,1-3H3.
What are the key properties of 3-[7-(3-chloropropyl)-1-tricyclo[4.1.0.02,7]heptanyl]prop-1-ynyl-trimethylsilane?
3-[7-(3-chloropropyl)-1-tricyclo[4.1.0.02,7]heptanyl]prop-1-ynyl-trimethylsilane has a molecular weight of 280.91 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(3-chloropropyl)-1-tricyclo[4.1.0.02,7]heptanyl]prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 15807318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).