(3aS)-1-chloro-3,3-dimethyl-1-prop-2-enyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazasilole

C10H18ClNOSi — CID 10059798

IUPAC(3aS)-1-chloro-3,3-dimethyl-1-prop-2-enyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazasilole
SMILESC=CC[Si]1(Cl)OC(C)(C)[C@@H]2CCCN21
InChIInChI=1S/C10H18ClNOSi/c1-4-8-14(11)12-7-5-6-9(12)10(2,3)13-14/h4,9H,1,5-8H2,2-3H3/t9-,14?/m0/s1
InChIKeyLFOIOHCBRVXFEZ-CUVJYRNJSA-N
MW231.80 g/mol
LogP2.62
Rot. Bonds2

About (3aS)-1-chloro-3,3-dimethyl-1-prop-2-enyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazasilole

(3aS)-1-chloro-3,3-dimethyl-1-prop-2-enyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazasilole (PubChem CID 10059798) has the molecular formula C10H18ClNOSi and a molecular weight of 231.80 g/mol. Its IUPAC name is (3aS)-1-chloro-3,3-dimethyl-1-prop-2-enyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazasilole.

Molecular Properties

Compound Name(3aS)-1-chloro-3,3-dimethyl-1-prop-2-enyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazasilole
PubChem CID10059798
Molecular FormulaC10H18ClNOSi
Molecular Weight231.80 g/mol
Exact Mass231.08
IUPAC Name(3aS)-1-chloro-3,3-dimethyl-1-prop-2-enyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazasilole
SMILESC=CC[Si]1(Cl)OC(C)(C)[C@@H]2CCCN21
InChIInChI=1S/C10H18ClNOSi/c1-4-8-14(11)12-7-5-6-9(12)10(2,3)13-14/h4,9H,1,5-8H2,2-3H3/t9-,14?/m0/s1
InChIKeyLFOIOHCBRVXFEZ-CUVJYRNJSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.80
LogP ≤ 52.62
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 (3aS)-1-chloro-3,3-dimethyl-1-prop-2-enyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazasilole?
The IUPAC name of (3aS)-1-chloro-3,3-dimethyl-1-prop-2-enyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazasilole (CID 10059798) is (3aS)-1-chloro-3,3-dimethyl-1-prop-2-enyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazasilole.
What is the SMILES notation for (3aS)-1-chloro-3,3-dimethyl-1-prop-2-enyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazasilole?
The canonical SMILES for (3aS)-1-chloro-3,3-dimethyl-1-prop-2-enyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazasilole is C=CC[Si]1(Cl)OC(C)(C)[C@@H]2CCCN21.
What is the InChIKey of (3aS)-1-chloro-3,3-dimethyl-1-prop-2-enyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazasilole?
The InChIKey is LFOIOHCBRVXFEZ-CUVJYRNJSA-N. The full InChI is InChI=1S/C10H18ClNOSi/c1-4-8-14(11)12-7-5-6-9(12)10(2,3)13-14/h4,9H,1,5-8H2,2-3H3/t9-,14?/m0/s1.
What are the key properties of (3aS)-1-chloro-3,3-dimethyl-1-prop-2-enyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazasilole?
(3aS)-1-chloro-3,3-dimethyl-1-prop-2-enyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazasilole has a molecular weight of 231.80 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-1-chloro-3,3-dimethyl-1-prop-2-enyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazasilole is sourced from PubChem (CID 10059798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).