dimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane

C18H28Si — CID 100952067

IUPACdimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane
SMILESCC1=CC(C)=C(C)[C@H]1[Si](C)(C)[C@H]1C(C)=CC(C)=C1C
InChIInChI=1S/C18H28Si/c1-11-9-13(3)17(15(11)5)19(7,8)18-14(4)10-12(2)16(18)6/h9-10,17-18H,1-8H3/t17-,18-/m0/s1
InChIKeyODITXPNOWGXPDZ-ROUUACIJSA-N
MW272.51 g/mol
LogP6.03
Rot. Bonds2

About dimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane

dimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane (PubChem CID 100952067) has the molecular formula C18H28Si and a molecular weight of 272.51 g/mol. Its IUPAC name is dimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane.

Molecular Properties

Compound Namedimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane
PubChem CID100952067
Molecular FormulaC18H28Si
Molecular Weight272.51 g/mol
Exact Mass272.20
IUPAC Namedimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane
SMILESCC1=CC(C)=C(C)[C@H]1[Si](C)(C)[C@H]1C(C)=CC(C)=C1C
InChIInChI=1S/C18H28Si/c1-11-9-13(3)17(15(11)5)19(7,8)18-14(4)10-12(2)16(18)6/h9-10,17-18H,1-8H3/t17-,18-/m0/s1
InChIKeyODITXPNOWGXPDZ-ROUUACIJSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.51
LogP ≤ 56.03
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 dimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane?
The IUPAC name of dimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane (CID 100952067) is dimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane.
What is the SMILES notation for dimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane?
The canonical SMILES for dimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane is CC1=CC(C)=C(C)[C@H]1[Si](C)(C)[C@H]1C(C)=CC(C)=C1C.
What is the InChIKey of dimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane?
The InChIKey is ODITXPNOWGXPDZ-ROUUACIJSA-N. The full InChI is InChI=1S/C18H28Si/c1-11-9-13(3)17(15(11)5)19(7,8)18-14(4)10-12(2)16(18)6/h9-10,17-18H,1-8H3/t17-,18-/m0/s1.
What are the key properties of dimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane?
dimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane has a molecular weight of 272.51 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane is sourced from PubChem (CID 100952067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).