(3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane

C46H80Si — CID 140886609

IUPAC(3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane
SMILESCC1CCC2C(C1)C1CC(C)CCC1C2[Si](C)(C)C1C2CC3C(CC2C2CC4C(CC21)C(C)(C)CCC4(C)C)C(C)(C)CCC3(C)C
InChIInChI=1S/C46H80Si/c1-27-13-15-29-31(21-27)32-22-28(2)14-16-30(32)41(29)47(11,12)42-35-25-39-37(43(3,4)17-19-45(39,7)8)23-33(35)34-24-38-40(26-36(34)42)46(9,10)20-18-44(38,5)6/h27-42H,13-26H2,1-12H3
InChIKeyFQDBZAHOWFYMDB-UHFFFAOYSA-N
MW661.23 g/mol
LogP13.78
Rot. Bonds2

About (3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane

(3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane (PubChem CID 140886609) has the molecular formula C46H80Si and a molecular weight of 661.23 g/mol. Its IUPAC name is (3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane.

Molecular Properties

Compound Name(3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane
PubChem CID140886609
Molecular FormulaC46H80Si
Molecular Weight661.23 g/mol
Exact Mass660.60
IUPAC Name(3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane
SMILESCC1CCC2C(C1)C1CC(C)CCC1C2[Si](C)(C)C1C2CC3C(CC2C2CC4C(CC21)C(C)(C)CCC4(C)C)C(C)(C)CCC3(C)C
InChIInChI=1S/C46H80Si/c1-27-13-15-29-31(21-27)32-22-28(2)14-16-30(32)41(29)47(11,12)42-35-25-39-37(43(3,4)17-19-45(39,7)8)23-33(35)34-24-38-40(26-36(34)42)46(9,10)20-18-44(38,5)6/h27-42H,13-26H2,1-12H3
InChIKeyFQDBZAHOWFYMDB-UHFFFAOYSA-N
XLogP13.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.23
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane?
The IUPAC name of (3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane (CID 140886609) is (3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane.
What is the SMILES notation for (3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane?
The canonical SMILES for (3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane is CC1CCC2C(C1)C1CC(C)CCC1C2[Si](C)(C)C1C2CC3C(CC2C2CC4C(CC21)C(C)(C)CCC4(C)C)C(C)(C)CCC3(C)C.
What is the InChIKey of (3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane?
The InChIKey is FQDBZAHOWFYMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H80Si/c1-27-13-15-29-31(21-27)32-22-28(2)14-16-30(32)41(29)47(11,12)42-35-25-39-37(43(3,4)17-19-45(39,7)8)23-33(35)34-24-38-40(26-36(34)42)46(9,10)20-18-44(38,5)6/h27-42H,13-26H2,1-12H3.
What are the key properties of (3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane?
(3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane has a molecular weight of 661.23 g/mol, XLogP of 13.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-dimethyl-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)silane is sourced from PubChem (CID 140886609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).