(3R)-5-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpentanenitrile

C19H35NOSi — CID 164668912

IUPAC(3R)-5-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpentanenitrile
SMILESC[C@@H](CC#N)CC[C@H]1CCCC=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H35NOSi/c1-16(13-14-20)11-12-17-9-7-8-10-18(17)15-21-22(5,6)19(2,3)4/h10,16-17H,7-9,11-13,15H2,1-6H3/t16-,17-/m1/s1
InChIKeyCXGSMSFFDFFVKH-IAGOWNOFSA-N
MW321.58 g/mol
LogP6.06
Rot. Bonds7

About (3R)-5-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpentanenitrile

(3R)-5-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpentanenitrile (PubChem CID 164668912) has the molecular formula C19H35NOSi and a molecular weight of 321.58 g/mol. Its IUPAC name is (3R)-5-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpentanenitrile.

Molecular Properties

Compound Name(3R)-5-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpentanenitrile
PubChem CID164668912
Molecular FormulaC19H35NOSi
Molecular Weight321.58 g/mol
Exact Mass321.25
IUPAC Name(3R)-5-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpentanenitrile
SMILESC[C@@H](CC#N)CC[C@H]1CCCC=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H35NOSi/c1-16(13-14-20)11-12-17-9-7-8-10-18(17)15-21-22(5,6)19(2,3)4/h10,16-17H,7-9,11-13,15H2,1-6H3/t16-,17-/m1/s1
InChIKeyCXGSMSFFDFFVKH-IAGOWNOFSA-N
XLogP6.06
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.58
LogP ≤ 56.06
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'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpentanenitrile?
The IUPAC name of (3R)-5-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpentanenitrile (CID 164668912) is (3R)-5-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpentanenitrile.
What is the SMILES notation for (3R)-5-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpentanenitrile?
The canonical SMILES for (3R)-5-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpentanenitrile is C[C@@H](CC#N)CC[C@H]1CCCC=C1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-5-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpentanenitrile?
The InChIKey is CXGSMSFFDFFVKH-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H35NOSi/c1-16(13-14-20)11-12-17-9-7-8-10-18(17)15-21-22(5,6)19(2,3)4/h10,16-17H,7-9,11-13,15H2,1-6H3/t16-,17-/m1/s1.
What are the key properties of (3R)-5-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpentanenitrile?
(3R)-5-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpentanenitrile has a molecular weight of 321.58 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpentanenitrile is sourced from PubChem (CID 164668912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).