1,4,9-trimethyl-4-silatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14)-triene

C17H24Si — CID 177102366

IUPAC1,4,9-trimethyl-4-silatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14)-triene
SMILESCc1cc2c3c4c1CCC[Si]4(C)CCC3(C)CC2
InChIInChI=1S/C17H24Si/c1-12-11-13-6-7-17(2)8-10-18(3)9-4-5-14(12)16(18)15(13)17/h11H,4-10H2,1-3H3
InChIKeyCLTPESLDYKTGIT-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.83
Rot. Bonds

About 1,4,9-trimethyl-4-silatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14)-triene

1,4,9-trimethyl-4-silatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14)-triene (PubChem CID 177102366) has the molecular formula C17H24Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 1,4,9-trimethyl-4-silatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14)-triene.

Molecular Properties

Compound Name1,4,9-trimethyl-4-silatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14)-triene
PubChem CID177102366
Molecular FormulaC17H24Si
Molecular Weight256.46 g/mol
Exact Mass256.16
IUPAC Name1,4,9-trimethyl-4-silatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14)-triene
SMILESCc1cc2c3c4c1CCC[Si]4(C)CCC3(C)CC2
InChIInChI=1S/C17H24Si/c1-12-11-13-6-7-17(2)8-10-18(3)9-4-5-14(12)16(18)15(13)17/h11H,4-10H2,1-3H3
InChIKeyCLTPESLDYKTGIT-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4,9-trimethyl-4-silatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14)-triene?
The IUPAC name of 1,4,9-trimethyl-4-silatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14)-triene (CID 177102366) is 1,4,9-trimethyl-4-silatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14)-triene.
What is the SMILES notation for 1,4,9-trimethyl-4-silatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14)-triene?
The canonical SMILES for 1,4,9-trimethyl-4-silatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14)-triene is Cc1cc2c3c4c1CCC[Si]4(C)CCC3(C)CC2.
What is the InChIKey of 1,4,9-trimethyl-4-silatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14)-triene?
The InChIKey is CLTPESLDYKTGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Si/c1-12-11-13-6-7-17(2)8-10-18(3)9-4-5-14(12)16(18)15(13)17/h11H,4-10H2,1-3H3.
What are the key properties of 1,4,9-trimethyl-4-silatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14)-triene?
1,4,9-trimethyl-4-silatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14)-triene has a molecular weight of 256.46 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,9-trimethyl-4-silatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14)-triene is sourced from PubChem (CID 177102366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).