[2,2,4,4-tetramethyl-3-(2,3,4-trimethyl-5-silylcyclopenta-2,4-dien-1-yl)pentan-3-yl]phosphane

C17H33PSi — CID 174841444

IUPAC[2,2,4,4-tetramethyl-3-(2,3,4-trimethyl-5-silylcyclopenta-2,4-dien-1-yl)pentan-3-yl]phosphane
SMILESCC1=C(C)C(C(P)(C(C)(C)C)C(C)(C)C)C([SiH3])=C1C
InChIInChI=1S/C17H33PSi/c1-10-11(2)13(14(19)12(10)3)17(18,15(4,5)6)16(7,8)9/h13H,18H2,1-9,19H3
InChIKeyDJVUVMVSDVWHBQ-UHFFFAOYSA-N
MW296.51 g/mol
LogP4.30
Rot. Bonds1

About [2,2,4,4-tetramethyl-3-(2,3,4-trimethyl-5-silylcyclopenta-2,4-dien-1-yl)pentan-3-yl]phosphane

[2,2,4,4-tetramethyl-3-(2,3,4-trimethyl-5-silylcyclopenta-2,4-dien-1-yl)pentan-3-yl]phosphane (PubChem CID 174841444) has the molecular formula C17H33PSi and a molecular weight of 296.51 g/mol. Its IUPAC name is [2,2,4,4-tetramethyl-3-(2,3,4-trimethyl-5-silylcyclopenta-2,4-dien-1-yl)pentan-3-yl]phosphane.

Molecular Properties

Compound Name[2,2,4,4-tetramethyl-3-(2,3,4-trimethyl-5-silylcyclopenta-2,4-dien-1-yl)pentan-3-yl]phosphane
PubChem CID174841444
Molecular FormulaC17H33PSi
Molecular Weight296.51 g/mol
Exact Mass296.21
IUPAC Name[2,2,4,4-tetramethyl-3-(2,3,4-trimethyl-5-silylcyclopenta-2,4-dien-1-yl)pentan-3-yl]phosphane
SMILESCC1=C(C)C(C(P)(C(C)(C)C)C(C)(C)C)C([SiH3])=C1C
InChIInChI=1S/C17H33PSi/c1-10-11(2)13(14(19)12(10)3)17(18,15(4,5)6)16(7,8)9/h13H,18H2,1-9,19H3
InChIKeyDJVUVMVSDVWHBQ-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.51
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 91275282
CID 91275282
[3-(1,2,3,4,5,6-Hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane
CID 175584555

Frequently Asked Questions

What is the IUPAC name of [2,2,4,4-tetramethyl-3-(2,3,4-trimethyl-5-silylcyclopenta-2,4-dien-1-yl)pentan-3-yl]phosphane?
The IUPAC name of [2,2,4,4-tetramethyl-3-(2,3,4-trimethyl-5-silylcyclopenta-2,4-dien-1-yl)pentan-3-yl]phosphane (CID 174841444) is [2,2,4,4-tetramethyl-3-(2,3,4-trimethyl-5-silylcyclopenta-2,4-dien-1-yl)pentan-3-yl]phosphane.
What is the SMILES notation for [2,2,4,4-tetramethyl-3-(2,3,4-trimethyl-5-silylcyclopenta-2,4-dien-1-yl)pentan-3-yl]phosphane?
The canonical SMILES for [2,2,4,4-tetramethyl-3-(2,3,4-trimethyl-5-silylcyclopenta-2,4-dien-1-yl)pentan-3-yl]phosphane is CC1=C(C)C(C(P)(C(C)(C)C)C(C)(C)C)C([SiH3])=C1C.
What is the InChIKey of [2,2,4,4-tetramethyl-3-(2,3,4-trimethyl-5-silylcyclopenta-2,4-dien-1-yl)pentan-3-yl]phosphane?
The InChIKey is DJVUVMVSDVWHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33PSi/c1-10-11(2)13(14(19)12(10)3)17(18,15(4,5)6)16(7,8)9/h13H,18H2,1-9,19H3.
What are the key properties of [2,2,4,4-tetramethyl-3-(2,3,4-trimethyl-5-silylcyclopenta-2,4-dien-1-yl)pentan-3-yl]phosphane?
[2,2,4,4-tetramethyl-3-(2,3,4-trimethyl-5-silylcyclopenta-2,4-dien-1-yl)pentan-3-yl]phosphane has a molecular weight of 296.51 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,4,4-tetramethyl-3-(2,3,4-trimethyl-5-silylcyclopenta-2,4-dien-1-yl)pentan-3-yl]phosphane is sourced from PubChem (CID 174841444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).