tert-butyl-dimethyl-[(3S)-3-[(1R)-3-methyl-2-[(1S,5S)-1-methyl-4,8-dimethylidene-2-bicyclo[3.2.1]oct-2-enyl]cyclopent-2-en-1-yl]butoxy]silane

C27H44OSi — CID 10645380

IUPACtert-butyl-dimethyl-[(3S)-3-[(1R)-3-methyl-2-[(1S,5S)-1-methyl-4,8-dimethylidene-2-bicyclo[3.2.1]oct-2-enyl]cyclopent-2-en-1-yl]butoxy]silane
SMILESC=C1C=C(C2=C(C)CC[C@@H]2[C@@H](C)CCO[Si](C)(C)C(C)(C)C)[C@@]2(C)CC[C@@H]1C2=C
InChIInChI=1S/C27H44OSi/c1-18(14-16-28-29(9,10)26(5,6)7)23-12-11-19(2)25(23)24-17-20(3)22-13-15-27(24,8)21(22)4/h17-18,22-23H,3-4,11-16H2,1-2,5-10H3/t18-,22-,23+,27-/m0/s1
InChIKeyUVSTXTVSNZPJLL-MAUNHCGISA-N
MW412.73 g/mol
LogP8.23
Rot. Bonds6

About tert-butyl-dimethyl-[(3S)-3-[(1R)-3-methyl-2-[(1S,5S)-1-methyl-4,8-dimethylidene-2-bicyclo[3.2.1]oct-2-enyl]cyclopent-2-en-1-yl]butoxy]silane

tert-butyl-dimethyl-[(3S)-3-[(1R)-3-methyl-2-[(1S,5S)-1-methyl-4,8-dimethylidene-2-bicyclo[3.2.1]oct-2-enyl]cyclopent-2-en-1-yl]butoxy]silane (PubChem CID 10645380) has the molecular formula C27H44OSi and a molecular weight of 412.73 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S)-3-[(1R)-3-methyl-2-[(1S,5S)-1-methyl-4,8-dimethylidene-2-bicyclo[3.2.1]oct-2-enyl]cyclopent-2-en-1-yl]butoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S)-3-[(1R)-3-methyl-2-[(1S,5S)-1-methyl-4,8-dimethylidene-2-bicyclo[3.2.1]oct-2-enyl]cyclopent-2-en-1-yl]butoxy]silane
PubChem CID10645380
Molecular FormulaC27H44OSi
Molecular Weight412.73 g/mol
Exact Mass412.32
IUPAC Nametert-butyl-dimethyl-[(3S)-3-[(1R)-3-methyl-2-[(1S,5S)-1-methyl-4,8-dimethylidene-2-bicyclo[3.2.1]oct-2-enyl]cyclopent-2-en-1-yl]butoxy]silane
SMILESC=C1C=C(C2=C(C)CC[C@@H]2[C@@H](C)CCO[Si](C)(C)C(C)(C)C)[C@@]2(C)CC[C@@H]1C2=C
InChIInChI=1S/C27H44OSi/c1-18(14-16-28-29(9,10)26(5,6)7)23-12-11-19(2)25(23)24-17-20(3)22-13-15-27(24,8)21(22)4/h17-18,22-23H,3-4,11-16H2,1-2,5-10H3/t18-,22-,23+,27-/m0/s1
InChIKeyUVSTXTVSNZPJLL-MAUNHCGISA-N
XLogP8.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.73
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane
CID 11097819
tert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane
CID 14529462
tert-Butyldimethyl(((3aS,7R,8aS)-3,8,8-trimethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-6-yl)methoxy)silane
CID 60147480
Tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane
CID 135070895
2,3-dimethylbutan-2-yl-dimethyl-[(2S)-2-[(1R)-4-methylidenecyclohex-2-en-1-yl]propoxy]silane
CID 10935296
[3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane
CID 18622635
[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane
CID 18622636
4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane
CID 18622637
[3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane
CID 18622641
[3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane;zirconium(2+);dichloride
CID 18622679
4,4-Di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane
CID 18622686
3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane
CID 18622688

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S)-3-[(1R)-3-methyl-2-[(1S,5S)-1-methyl-4,8-dimethylidene-2-bicyclo[3.2.1]oct-2-enyl]cyclopent-2-en-1-yl]butoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3S)-3-[(1R)-3-methyl-2-[(1S,5S)-1-methyl-4,8-dimethylidene-2-bicyclo[3.2.1]oct-2-enyl]cyclopent-2-en-1-yl]butoxy]silane (CID 10645380) is tert-butyl-dimethyl-[(3S)-3-[(1R)-3-methyl-2-[(1S,5S)-1-methyl-4,8-dimethylidene-2-bicyclo[3.2.1]oct-2-enyl]cyclopent-2-en-1-yl]butoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S)-3-[(1R)-3-methyl-2-[(1S,5S)-1-methyl-4,8-dimethylidene-2-bicyclo[3.2.1]oct-2-enyl]cyclopent-2-en-1-yl]butoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3S)-3-[(1R)-3-methyl-2-[(1S,5S)-1-methyl-4,8-dimethylidene-2-bicyclo[3.2.1]oct-2-enyl]cyclopent-2-en-1-yl]butoxy]silane is C=C1C=C(C2=C(C)CC[C@@H]2[C@@H](C)CCO[Si](C)(C)C(C)(C)C)[C@@]2(C)CC[C@@H]1C2=C.
What is the InChIKey of tert-butyl-dimethyl-[(3S)-3-[(1R)-3-methyl-2-[(1S,5S)-1-methyl-4,8-dimethylidene-2-bicyclo[3.2.1]oct-2-enyl]cyclopent-2-en-1-yl]butoxy]silane?
The InChIKey is UVSTXTVSNZPJLL-MAUNHCGISA-N. The full InChI is InChI=1S/C27H44OSi/c1-18(14-16-28-29(9,10)26(5,6)7)23-12-11-19(2)25(23)24-17-20(3)22-13-15-27(24,8)21(22)4/h17-18,22-23H,3-4,11-16H2,1-2,5-10H3/t18-,22-,23+,27-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3S)-3-[(1R)-3-methyl-2-[(1S,5S)-1-methyl-4,8-dimethylidene-2-bicyclo[3.2.1]oct-2-enyl]cyclopent-2-en-1-yl]butoxy]silane?
tert-butyl-dimethyl-[(3S)-3-[(1R)-3-methyl-2-[(1S,5S)-1-methyl-4,8-dimethylidene-2-bicyclo[3.2.1]oct-2-enyl]cyclopent-2-en-1-yl]butoxy]silane has a molecular weight of 412.73 g/mol, XLogP of 8.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S)-3-[(1R)-3-methyl-2-[(1S,5S)-1-methyl-4,8-dimethylidene-2-bicyclo[3.2.1]oct-2-enyl]cyclopent-2-en-1-yl]butoxy]silane is sourced from PubChem (CID 10645380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).