(8bR)-2-chloro-3-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3,2]oxazasilole

C13H16ClNOSi — CID 134963660

IUPAC(8bR)-2-chloro-3-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3,2]oxazasilole
SMILESC=CC[Si]1(Cl)O[C@@H]2c3ccccc3CC2N1C
InChIInChI=1S/C13H16ClNOSi/c1-3-8-17(14)15(2)12-9-10-6-4-5-7-11(10)13(12)16-17/h3-7,12-13H,1,8-9H2,2H3/t12?,13-,17?/m1/s1
InChIKeyCHAJLKOFEZNJBG-UIORMTCPSA-N
MW265.82 g/mol
LogP2.98
Rot. Bonds2

About (8bR)-2-chloro-3-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3,2]oxazasilole

(8bR)-2-chloro-3-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3,2]oxazasilole (PubChem CID 134963660) has the molecular formula C13H16ClNOSi and a molecular weight of 265.82 g/mol. Its IUPAC name is (8bR)-2-chloro-3-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3,2]oxazasilole.

Molecular Properties

Compound Name(8bR)-2-chloro-3-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3,2]oxazasilole
PubChem CID134963660
Molecular FormulaC13H16ClNOSi
Molecular Weight265.82 g/mol
Exact Mass265.07
IUPAC Name(8bR)-2-chloro-3-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3,2]oxazasilole
SMILESC=CC[Si]1(Cl)O[C@@H]2c3ccccc3CC2N1C
InChIInChI=1S/C13H16ClNOSi/c1-3-8-17(14)15(2)12-9-10-6-4-5-7-11(10)13(12)16-17/h3-7,12-13H,1,8-9H2,2H3/t12?,13-,17?/m1/s1
InChIKeyCHAJLKOFEZNJBG-UIORMTCPSA-N
XLogP2.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.82
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8bR)-2-chloro-3-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3,2]oxazasilole?
The IUPAC name of (8bR)-2-chloro-3-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3,2]oxazasilole (CID 134963660) is (8bR)-2-chloro-3-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3,2]oxazasilole.
What is the SMILES notation for (8bR)-2-chloro-3-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3,2]oxazasilole?
The canonical SMILES for (8bR)-2-chloro-3-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3,2]oxazasilole is C=CC[Si]1(Cl)O[C@@H]2c3ccccc3CC2N1C.
What is the InChIKey of (8bR)-2-chloro-3-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3,2]oxazasilole?
The InChIKey is CHAJLKOFEZNJBG-UIORMTCPSA-N. The full InChI is InChI=1S/C13H16ClNOSi/c1-3-8-17(14)15(2)12-9-10-6-4-5-7-11(10)13(12)16-17/h3-7,12-13H,1,8-9H2,2H3/t12?,13-,17?/m1/s1.
What are the key properties of (8bR)-2-chloro-3-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3,2]oxazasilole?
(8bR)-2-chloro-3-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3,2]oxazasilole has a molecular weight of 265.82 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8bR)-2-chloro-3-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3,2]oxazasilole is sourced from PubChem (CID 134963660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).