tert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium

C17H29SiTi- — CID 173302977

IUPACtert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium
SMILESCC1=[C-]C2=C(CCCC2)C1C[Si](C)(C)C(C)(C)C.[Ti]
InChIInChI=1S/C17H29Si.Ti/c1-13-11-14-9-7-8-10-15(14)16(13)12-18(5,6)17(2,3)4;/h16H,7-10,12H2,1-6H3;/q-1;
InChIKeyOIYZZPNSMKLNBT-UHFFFAOYSA-N
MW309.37 g/mol
LogP5.74
Rot. Bonds2

About tert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium

tert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium (PubChem CID 173302977) has the molecular formula C17H29SiTi- and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium
PubChem CID173302977
Molecular FormulaC17H29SiTi-
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Nametert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium
SMILESCC1=[C-]C2=C(CCCC2)C1C[Si](C)(C)C(C)(C)C.[Ti]
InChIInChI=1S/C17H29Si.Ti/c1-13-11-14-9-7-8-10-15(14)16(13)12-18(5,6)17(2,3)4;/h16H,7-10,12H2,1-6H3;/q-1;
InChIKeyOIYZZPNSMKLNBT-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.37
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium?
The IUPAC name of tert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium (CID 173302977) is tert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium.
What is the SMILES notation for tert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium?
The canonical SMILES for tert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium is CC1=[C-]C2=C(CCCC2)C1C[Si](C)(C)C(C)(C)C.[Ti].
What is the InChIKey of tert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium?
The InChIKey is OIYZZPNSMKLNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29Si.Ti/c1-13-11-14-9-7-8-10-15(14)16(13)12-18(5,6)17(2,3)4;/h16H,7-10,12H2,1-6H3;/q-1;.
What are the key properties of tert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium?
tert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium has a molecular weight of 309.37 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium is sourced from PubChem (CID 173302977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).