2,2-bis[(2R)-2-methylbutyl]-2-silatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene

C20H28Si — CID 101060468

IUPAC2,2-bis[(2R)-2-methylbutyl]-2-silatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
SMILESCC[C@@H](C)C[Si]1(C[C@H](C)CC)c2cccc3cccc1c23
InChIInChI=1S/C20H28Si/c1-5-15(3)13-21(14-16(4)6-2)18-11-7-9-17-10-8-12-19(21)20(17)18/h7-12,15-16H,5-6,13-14H2,1-4H3/t15-,16-/m1/s1
InChIKeyIDJXXSANCMTCCZ-HZPDHXFCSA-N
MW296.53 g/mol
LogP4.81
Rot. Bonds6

About 2,2-bis[(2R)-2-methylbutyl]-2-silatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene

2,2-bis[(2R)-2-methylbutyl]-2-silatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene (PubChem CID 101060468) has the molecular formula C20H28Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 2,2-bis[(2R)-2-methylbutyl]-2-silatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene.

Molecular Properties

Compound Name2,2-bis[(2R)-2-methylbutyl]-2-silatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
PubChem CID101060468
Molecular FormulaC20H28Si
Molecular Weight296.53 g/mol
Exact Mass296.20
IUPAC Name2,2-bis[(2R)-2-methylbutyl]-2-silatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
SMILESCC[C@@H](C)C[Si]1(C[C@H](C)CC)c2cccc3cccc1c23
InChIInChI=1S/C20H28Si/c1-5-15(3)13-21(14-16(4)6-2)18-11-7-9-17-10-8-12-19(21)20(17)18/h7-12,15-16H,5-6,13-14H2,1-4H3/t15-,16-/m1/s1
InChIKeyIDJXXSANCMTCCZ-HZPDHXFCSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.81
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 2,2-bis[(2R)-2-methylbutyl]-2-silatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
The IUPAC name of 2,2-bis[(2R)-2-methylbutyl]-2-silatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene (CID 101060468) is 2,2-bis[(2R)-2-methylbutyl]-2-silatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene.
What is the SMILES notation for 2,2-bis[(2R)-2-methylbutyl]-2-silatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
The canonical SMILES for 2,2-bis[(2R)-2-methylbutyl]-2-silatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene is CC[C@@H](C)C[Si]1(C[C@H](C)CC)c2cccc3cccc1c23.
What is the InChIKey of 2,2-bis[(2R)-2-methylbutyl]-2-silatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
The InChIKey is IDJXXSANCMTCCZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H28Si/c1-5-15(3)13-21(14-16(4)6-2)18-11-7-9-17-10-8-12-19(21)20(17)18/h7-12,15-16H,5-6,13-14H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of 2,2-bis[(2R)-2-methylbutyl]-2-silatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
2,2-bis[(2R)-2-methylbutyl]-2-silatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene has a molecular weight of 296.53 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[(2R)-2-methylbutyl]-2-silatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene is sourced from PubChem (CID 101060468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).