[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,3a,4,4a,5,6,7,7a,8,8a-decahydro-s-indacen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C38H64Si — CID 164810430

IUPAC[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,3a,4,4a,5,6,7,7a,8,8a-decahydro-s-indacen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC2C(CC3CCCC3C2C2CC(C(C)(C)C)CC(C(C)(C)C)C2)C1[Si](C)(C)C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C38H64Si/c1-22-17-32-33(35(22)39(12,13)36-25(4)23(2)24(3)26(36)5)20-27-15-14-16-31(27)34(32)28-18-29(37(6,7)8)21-30(19-28)38(9,10)11/h17,27-36H,14-16,18-21H2,1-13H3
InChIKeyDUBKYZGBRDMFAL-UHFFFAOYSA-N
MW549.02 g/mol
LogP11.87
Rot. Bonds3

About [4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,3a,4,4a,5,6,7,7a,8,8a-decahydro-s-indacen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,3a,4,4a,5,6,7,7a,8,8a-decahydro-s-indacen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 164810430) has the molecular formula C38H64Si and a molecular weight of 549.02 g/mol. Its IUPAC name is [4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,3a,4,4a,5,6,7,7a,8,8a-decahydro-s-indacen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,3a,4,4a,5,6,7,7a,8,8a-decahydro-s-indacen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID164810430
Molecular FormulaC38H64Si
Molecular Weight549.02 g/mol
Exact Mass548.48
IUPAC Name[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,3a,4,4a,5,6,7,7a,8,8a-decahydro-s-indacen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC2C(CC3CCCC3C2C2CC(C(C)(C)C)CC(C(C)(C)C)C2)C1[Si](C)(C)C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C38H64Si/c1-22-17-32-33(35(22)39(12,13)36-25(4)23(2)24(3)26(36)5)20-27-15-14-16-31(27)34(32)28-18-29(37(6,7)8)21-30(19-28)38(9,10)11/h17,27-36H,14-16,18-21H2,1-13H3
InChIKeyDUBKYZGBRDMFAL-UHFFFAOYSA-N
XLogP11.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.02
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,3a,4,4a,5,6,7,7a,8,8a-decahydro-s-indacen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of [4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,3a,4,4a,5,6,7,7a,8,8a-decahydro-s-indacen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 164810430) is [4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,3a,4,4a,5,6,7,7a,8,8a-decahydro-s-indacen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for [4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,3a,4,4a,5,6,7,7a,8,8a-decahydro-s-indacen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for [4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,3a,4,4a,5,6,7,7a,8,8a-decahydro-s-indacen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=CC2C(CC3CCCC3C2C2CC(C(C)(C)C)CC(C(C)(C)C)C2)C1[Si](C)(C)C1C(C)=C(C)C(C)=C1C.
What is the InChIKey of [4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,3a,4,4a,5,6,7,7a,8,8a-decahydro-s-indacen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is DUBKYZGBRDMFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H64Si/c1-22-17-32-33(35(22)39(12,13)36-25(4)23(2)24(3)26(36)5)20-27-15-14-16-31(27)34(32)28-18-29(37(6,7)8)21-30(19-28)38(9,10)11/h17,27-36H,14-16,18-21H2,1-13H3.
What are the key properties of [4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,3a,4,4a,5,6,7,7a,8,8a-decahydro-s-indacen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,3a,4,4a,5,6,7,7a,8,8a-decahydro-s-indacen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 549.02 g/mol, XLogP of 11.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,3a,4,4a,5,6,7,7a,8,8a-decahydro-s-indacen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 164810430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).