dimethyl-bis(1,1,6-trimethyl-2,3,4,5-tetrahydrocyclopenta[b]silin-5-yl)silane

C24H40Si3 — CID 18990733

IUPACdimethyl-bis(1,1,6-trimethyl-2,3,4,5-tetrahydrocyclopenta[b]silin-5-yl)silane
SMILESCC1=CC2=C(CCC[Si]2(C)C)C1[Si](C)(C)C1C(C)=CC2=C1CCC[Si]2(C)C
InChIInChI=1S/C24H40Si3/c1-17-15-21-19(11-9-13-25(21,3)4)23(17)27(7,8)24-18(2)16-22-20(24)12-10-14-26(22,5)6/h15-16,23-24H,9-14H2,1-8H3
InChIKeyNVQDRTPXFAANMF-UHFFFAOYSA-N
MW412.84 g/mol
LogP8.03
Rot. Bonds2

About dimethyl-bis(1,1,6-trimethyl-2,3,4,5-tetrahydrocyclopenta[b]silin-5-yl)silane

dimethyl-bis(1,1,6-trimethyl-2,3,4,5-tetrahydrocyclopenta[b]silin-5-yl)silane (PubChem CID 18990733) has the molecular formula C24H40Si3 and a molecular weight of 412.84 g/mol. Its IUPAC name is dimethyl-bis(1,1,6-trimethyl-2,3,4,5-tetrahydrocyclopenta[b]silin-5-yl)silane.

Molecular Properties

Compound Namedimethyl-bis(1,1,6-trimethyl-2,3,4,5-tetrahydrocyclopenta[b]silin-5-yl)silane
PubChem CID18990733
Molecular FormulaC24H40Si3
Molecular Weight412.84 g/mol
Exact Mass412.24
IUPAC Namedimethyl-bis(1,1,6-trimethyl-2,3,4,5-tetrahydrocyclopenta[b]silin-5-yl)silane
SMILESCC1=CC2=C(CCC[Si]2(C)C)C1[Si](C)(C)C1C(C)=CC2=C1CCC[Si]2(C)C
InChIInChI=1S/C24H40Si3/c1-17-15-21-19(11-9-13-25(21,3)4)23(17)27(7,8)24-18(2)16-22-20(24)12-10-14-26(22,5)6/h15-16,23-24H,9-14H2,1-8H3
InChIKeyNVQDRTPXFAANMF-UHFFFAOYSA-N
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.84
LogP ≤ 58.03
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 dimethyl-bis(1,1,6-trimethyl-2,3,4,5-tetrahydrocyclopenta[b]silin-5-yl)silane?
The IUPAC name of dimethyl-bis(1,1,6-trimethyl-2,3,4,5-tetrahydrocyclopenta[b]silin-5-yl)silane (CID 18990733) is dimethyl-bis(1,1,6-trimethyl-2,3,4,5-tetrahydrocyclopenta[b]silin-5-yl)silane.
What is the SMILES notation for dimethyl-bis(1,1,6-trimethyl-2,3,4,5-tetrahydrocyclopenta[b]silin-5-yl)silane?
The canonical SMILES for dimethyl-bis(1,1,6-trimethyl-2,3,4,5-tetrahydrocyclopenta[b]silin-5-yl)silane is CC1=CC2=C(CCC[Si]2(C)C)C1[Si](C)(C)C1C(C)=CC2=C1CCC[Si]2(C)C.
What is the InChIKey of dimethyl-bis(1,1,6-trimethyl-2,3,4,5-tetrahydrocyclopenta[b]silin-5-yl)silane?
The InChIKey is NVQDRTPXFAANMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40Si3/c1-17-15-21-19(11-9-13-25(21,3)4)23(17)27(7,8)24-18(2)16-22-20(24)12-10-14-26(22,5)6/h15-16,23-24H,9-14H2,1-8H3.
What are the key properties of dimethyl-bis(1,1,6-trimethyl-2,3,4,5-tetrahydrocyclopenta[b]silin-5-yl)silane?
dimethyl-bis(1,1,6-trimethyl-2,3,4,5-tetrahydrocyclopenta[b]silin-5-yl)silane has a molecular weight of 412.84 g/mol, XLogP of 8.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(1,1,6-trimethyl-2,3,4,5-tetrahydrocyclopenta[b]silin-5-yl)silane is sourced from PubChem (CID 18990733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).