chloro-methyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C19H29ClSi — CID 154419406

IUPACchloro-methyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](C)(Cl)C2C(C)=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C19H29ClSi/c1-10-11(2)15(6)18(14(10)5)21(9,20)19-16(7)12(3)13(4)17(19)8/h18-19H,1-9H3
InChIKeySRCDDLWKMFUJMI-UHFFFAOYSA-N
MW320.98 g/mol
LogP6.91
Rot. Bonds2

About chloro-methyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

chloro-methyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 154419406) has the molecular formula C19H29ClSi and a molecular weight of 320.98 g/mol. Its IUPAC name is chloro-methyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namechloro-methyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID154419406
Molecular FormulaC19H29ClSi
Molecular Weight320.98 g/mol
Exact Mass320.17
IUPAC Namechloro-methyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](C)(Cl)C2C(C)=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C19H29ClSi/c1-10-11(2)15(6)18(14(10)5)21(9,20)19-16(7)12(3)13(4)17(19)8/h18-19H,1-9H3
InChIKeySRCDDLWKMFUJMI-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.98
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-methyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of chloro-methyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 154419406) is chloro-methyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for chloro-methyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for chloro-methyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=C(C)C([Si](C)(Cl)C2C(C)=C(C)C(C)=C2C)C(C)=C1C.
What is the InChIKey of chloro-methyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is SRCDDLWKMFUJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClSi/c1-10-11(2)15(6)18(14(10)5)21(9,20)19-16(7)12(3)13(4)17(19)8/h18-19H,1-9H3.
What are the key properties of chloro-methyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
chloro-methyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 320.98 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 154419406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).