bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-prop-2-enylsilane

C34H50Si — CID 140769838

IUPACbis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C1C(C)=C(C)[C@@H]2C(C)=C(C)C(C)=C(C)C12)C1C(C)=C(C)[C@@H]2C(C)=C(C)C(C)=C(C)C12
InChIInChI=1S/C34H50Si/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/h15,29-34H,1,16H2,2-14H3/t29-,30-,31?,32?,33?,34?,35?/m0/s1
InChIKeyLBMIYFLFBSKUEG-REQKNKAJSA-N
MW486.86 g/mol
LogP10.53
Rot. Bonds4

About bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-prop-2-enylsilane

bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-prop-2-enylsilane (PubChem CID 140769838) has the molecular formula C34H50Si and a molecular weight of 486.86 g/mol. Its IUPAC name is bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-prop-2-enylsilane.

Molecular Properties

Compound Namebis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-prop-2-enylsilane
PubChem CID140769838
Molecular FormulaC34H50Si
Molecular Weight486.86 g/mol
Exact Mass486.37
IUPAC Namebis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C1C(C)=C(C)[C@@H]2C(C)=C(C)C(C)=C(C)C12)C1C(C)=C(C)[C@@H]2C(C)=C(C)C(C)=C(C)C12
InChIInChI=1S/C34H50Si/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/h15,29-34H,1,16H2,2-14H3/t29-,30-,31?,32?,33?,34?,35?/m0/s1
InChIKeyLBMIYFLFBSKUEG-REQKNKAJSA-N
XLogP10.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.86
LogP ≤ 510.53
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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Related Compounds

bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane
CID 21982021
CID 134899402
CID 134899402
CID 134899904
CID 134899904
CID 134983248
CID 134983248
(S,E)-triethyl(2-(4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)vinyl)silane
CID 154701868
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane
CID 17759945
[2-(2-Cyclohexylcyclopenta-1,3-dien-1-yl)-3-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane
CID 17796924
bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethylsilane
CID 18349385
dimethyl-bis(2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 18463884
(2-Butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane
CID 19710422
bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane
CID 20576734
bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane
CID 20576735

Frequently Asked Questions

What is the IUPAC name of bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-prop-2-enylsilane?
The IUPAC name of bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-prop-2-enylsilane (CID 140769838) is bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-prop-2-enylsilane.
What is the SMILES notation for bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-prop-2-enylsilane?
The canonical SMILES for bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-prop-2-enylsilane is C=CC[Si](C)(C1C(C)=C(C)[C@@H]2C(C)=C(C)C(C)=C(C)C12)C1C(C)=C(C)[C@@H]2C(C)=C(C)C(C)=C(C)C12.
What is the InChIKey of bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-prop-2-enylsilane?
The InChIKey is LBMIYFLFBSKUEG-REQKNKAJSA-N. The full InChI is InChI=1S/C34H50Si/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/h15,29-34H,1,16H2,2-14H3/t29-,30-,31?,32?,33?,34?,35?/m0/s1.
What are the key properties of bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-prop-2-enylsilane?
bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-prop-2-enylsilane has a molecular weight of 486.86 g/mol, XLogP of 10.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-prop-2-enylsilane is sourced from PubChem (CID 140769838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).