[(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane

C34H56Si — CID 140769835

IUPAC[(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane
SMILESCCC[Si](C)(C1C(C)C(C)[C@@H]2C(C)=C(C)C(C)=C(C)C12)C1C2C(C)=C(C)C(C)=C(C)[C@H]2[C@@H](C)C1C
InChIInChI=1S/C34H56Si/c1-15-16-35(14,33-27(12)25(10)29-21(6)17(2)19(4)23(8)31(29)33)34-28(13)26(11)30-22(7)18(3)20(5)24(9)32(30)34/h25-34H,15-16H2,1-14H3/t25-,26?,27?,28?,29-,30-,31?,32?,33?,34?,35?/m0/s1
InChIKeyNXHFYLSDXQZBJW-JOYYFZDJSA-N
MW492.91 g/mol
LogP10.62
Rot. Bonds4

About [(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane

[(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane (PubChem CID 140769835) has the molecular formula C34H56Si and a molecular weight of 492.91 g/mol. Its IUPAC name is [(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane.

Molecular Properties

Compound Name[(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane
PubChem CID140769835
Molecular FormulaC34H56Si
Molecular Weight492.91 g/mol
Exact Mass492.42
IUPAC Name[(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane
SMILESCCC[Si](C)(C1C(C)C(C)[C@@H]2C(C)=C(C)C(C)=C(C)C12)C1C2C(C)=C(C)C(C)=C(C)[C@H]2[C@@H](C)C1C
InChIInChI=1S/C34H56Si/c1-15-16-35(14,33-27(12)25(10)29-21(6)17(2)19(4)23(8)31(29)33)34-28(13)26(11)30-22(7)18(3)20(5)24(9)32(30)34/h25-34H,15-16H2,1-14H3/t25-,26?,27?,28?,29-,30-,31?,32?,33?,34?,35?/m0/s1
InChIKeyNXHFYLSDXQZBJW-JOYYFZDJSA-N
XLogP10.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.91
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane with MolForge

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Related Compounds

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CID 135046583
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CID 135081340
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane
CID 17759945
dimethyl-bis(2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 18463884
bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane
CID 20576735
dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 20576736
bis(2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane
CID 21261176
[4-(4-tert-butylcyclohexa-1,5-dien-1-yl)-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]-[4-(4-tert-butylcyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]-dimethylsilane
CID 57552404
bis[(3aR)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 57882947
bis[(3aR)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 57882951
bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane
CID 57885059
[4-(4-tert-butylcyclohexa-1,5-dien-1-yl)-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]-[(4S)-4-(4-tert-butylcyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]-dimethylsilane
CID 57912288

Frequently Asked Questions

What is the IUPAC name of [(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane?
The IUPAC name of [(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane (CID 140769835) is [(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane.
What is the SMILES notation for [(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane?
The canonical SMILES for [(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane is CCC[Si](C)(C1C(C)C(C)[C@@H]2C(C)=C(C)C(C)=C(C)C12)C1C2C(C)=C(C)C(C)=C(C)[C@H]2[C@@H](C)C1C.
What is the InChIKey of [(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane?
The InChIKey is NXHFYLSDXQZBJW-JOYYFZDJSA-N. The full InChI is InChI=1S/C34H56Si/c1-15-16-35(14,33-27(12)25(10)29-21(6)17(2)19(4)23(8)31(29)33)34-28(13)26(11)30-22(7)18(3)20(5)24(9)32(30)34/h25-34H,15-16H2,1-14H3/t25-,26?,27?,28?,29-,30-,31?,32?,33?,34?,35?/m0/s1.
What are the key properties of [(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane?
[(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane has a molecular weight of 492.91 g/mol, XLogP of 10.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane is sourced from PubChem (CID 140769835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).