[(1R,2E,6E)-3,7,11-trimethyl-1-trimethylsilyldodeca-2,6,10-trienyl] N,N-di(propan-2-yl)carbamate

C25H47NO2Si — CID 166441514

IUPAC[(1R,2E,6E)-3,7,11-trimethyl-1-trimethylsilyldodeca-2,6,10-trienyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/[C@H](OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C
InChIInChI=1S/C25H47NO2Si/c1-19(2)14-12-15-22(7)16-13-17-23(8)18-24(29(9,10)11)28-25(27)26(20(3)4)21(5)6/h14,16,18,20-21,24H,12-13,15,17H2,1-11H3/b22-16+,23-18+/t24-/m1/s1
InChIKeyTYZQMVMFRYABBN-VNKPXPPLSA-N
MW421.74 g/mol
LogP7.91
Rot. Bonds11

About [(1R,2E,6E)-3,7,11-trimethyl-1-trimethylsilyldodeca-2,6,10-trienyl] N,N-di(propan-2-yl)carbamate

[(1R,2E,6E)-3,7,11-trimethyl-1-trimethylsilyldodeca-2,6,10-trienyl] N,N-di(propan-2-yl)carbamate (PubChem CID 166441514) has the molecular formula C25H47NO2Si and a molecular weight of 421.74 g/mol. Its IUPAC name is [(1R,2E,6E)-3,7,11-trimethyl-1-trimethylsilyldodeca-2,6,10-trienyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(1R,2E,6E)-3,7,11-trimethyl-1-trimethylsilyldodeca-2,6,10-trienyl] N,N-di(propan-2-yl)carbamate
PubChem CID166441514
Molecular FormulaC25H47NO2Si
Molecular Weight421.74 g/mol
Exact Mass421.34
IUPAC Name[(1R,2E,6E)-3,7,11-trimethyl-1-trimethylsilyldodeca-2,6,10-trienyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/[C@H](OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C
InChIInChI=1S/C25H47NO2Si/c1-19(2)14-12-15-22(7)16-13-17-23(8)18-24(29(9,10)11)28-25(27)26(20(3)4)21(5)6/h14,16,18,20-21,24H,12-13,15,17H2,1-11H3/b22-16+,23-18+/t24-/m1/s1
InChIKeyTYZQMVMFRYABBN-VNKPXPPLSA-N
XLogP7.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.74
LogP ≤ 57.91
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 [(1R,2E,6E)-3,7,11-trimethyl-1-trimethylsilyldodeca-2,6,10-trienyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(1R,2E,6E)-3,7,11-trimethyl-1-trimethylsilyldodeca-2,6,10-trienyl] N,N-di(propan-2-yl)carbamate (CID 166441514) is [(1R,2E,6E)-3,7,11-trimethyl-1-trimethylsilyldodeca-2,6,10-trienyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(1R,2E,6E)-3,7,11-trimethyl-1-trimethylsilyldodeca-2,6,10-trienyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(1R,2E,6E)-3,7,11-trimethyl-1-trimethylsilyldodeca-2,6,10-trienyl] N,N-di(propan-2-yl)carbamate is CC(C)=CCC/C(C)=C/CC/C(C)=C/[C@H](OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C.
What is the InChIKey of [(1R,2E,6E)-3,7,11-trimethyl-1-trimethylsilyldodeca-2,6,10-trienyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is TYZQMVMFRYABBN-VNKPXPPLSA-N. The full InChI is InChI=1S/C25H47NO2Si/c1-19(2)14-12-15-22(7)16-13-17-23(8)18-24(29(9,10)11)28-25(27)26(20(3)4)21(5)6/h14,16,18,20-21,24H,12-13,15,17H2,1-11H3/b22-16+,23-18+/t24-/m1/s1.
What are the key properties of [(1R,2E,6E)-3,7,11-trimethyl-1-trimethylsilyldodeca-2,6,10-trienyl] N,N-di(propan-2-yl)carbamate?
[(1R,2E,6E)-3,7,11-trimethyl-1-trimethylsilyldodeca-2,6,10-trienyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 421.74 g/mol, XLogP of 7.91, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2E,6E)-3,7,11-trimethyl-1-trimethylsilyldodeca-2,6,10-trienyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 166441514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).