(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane

C21H40Si — CID 173124352

IUPAC(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane
SMILESCC(C)(C)C1=C(C(C)(C)C)C([SiH3])C(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C21H40Si/c1-18(2,3)13-14(19(4,5)6)16(21(10,11)12)17(22)15(13)20(7,8)9/h17H,1-12,22H3
InChIKeyPFTQRHPTRZENJL-UHFFFAOYSA-N
MW320.64 g/mol
LogP5.93
Rot. Bonds

About (2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane

(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173124352) has the molecular formula C21H40Si and a molecular weight of 320.64 g/mol. Its IUPAC name is (2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane
PubChem CID173124352
Molecular FormulaC21H40Si
Molecular Weight320.64 g/mol
Exact Mass320.29
IUPAC Name(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane
SMILESCC(C)(C)C1=C(C(C)(C)C)C([SiH3])C(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C21H40Si/c1-18(2,3)13-14(19(4,5)6)16(21(10,11)12)17(22)15(13)20(7,8)9/h17H,1-12,22H3
InChIKeyPFTQRHPTRZENJL-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.64
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of (2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane (CID 173124352) is (2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for (2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for (2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane is CC(C)(C)C1=C(C(C)(C)C)C([SiH3])C(C(C)(C)C)=C1C(C)(C)C.
What is the InChIKey of (2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is PFTQRHPTRZENJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40Si/c1-18(2,3)13-14(19(4,5)6)16(21(10,11)12)17(22)15(13)20(7,8)9/h17H,1-12,22H3.
What are the key properties of (2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane?
(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 320.64 g/mol, XLogP of 5.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173124352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).