[(1R,2E,6E,10E)-3,7,11,15-tetramethyl-1-trimethylsilylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate

C30H55NO2Si — CID 146165573

IUPAC[(1R,2E,6E,10E)-3,7,11,15-tetramethyl-1-trimethylsilylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/[C@H](OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C
InChIInChI=1S/C30H55NO2Si/c1-23(2)16-13-17-26(7)18-14-19-27(8)20-15-21-28(9)22-29(34(10,11)12)33-30(32)31(24(3)4)25(5)6/h16,18,20,22,24-25,29H,13-15,17,19,21H2,1-12H3/b26-18+,27-20+,28-22+/t29-/m1/s1
InChIKeyBGDNJWDDUGEBPR-FBUSXABDSA-N
MW489.86 g/mol
LogP9.63
Rot. Bonds14

About [(1R,2E,6E,10E)-3,7,11,15-tetramethyl-1-trimethylsilylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate

[(1R,2E,6E,10E)-3,7,11,15-tetramethyl-1-trimethylsilylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate (PubChem CID 146165573) has the molecular formula C30H55NO2Si and a molecular weight of 489.86 g/mol. Its IUPAC name is [(1R,2E,6E,10E)-3,7,11,15-tetramethyl-1-trimethylsilylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(1R,2E,6E,10E)-3,7,11,15-tetramethyl-1-trimethylsilylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate
PubChem CID146165573
Molecular FormulaC30H55NO2Si
Molecular Weight489.86 g/mol
Exact Mass489.40
IUPAC Name[(1R,2E,6E,10E)-3,7,11,15-tetramethyl-1-trimethylsilylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/[C@H](OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C
InChIInChI=1S/C30H55NO2Si/c1-23(2)16-13-17-26(7)18-14-19-27(8)20-15-21-28(9)22-29(34(10,11)12)33-30(32)31(24(3)4)25(5)6/h16,18,20,22,24-25,29H,13-15,17,19,21H2,1-12H3/b26-18+,27-20+,28-22+/t29-/m1/s1
InChIKeyBGDNJWDDUGEBPR-FBUSXABDSA-N
XLogP9.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.86
LogP ≤ 59.63
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,10E)-3,7,11,15-tetramethyl-1-trimethylsilylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(1R,2E,6E,10E)-3,7,11,15-tetramethyl-1-trimethylsilylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate (CID 146165573) is [(1R,2E,6E,10E)-3,7,11,15-tetramethyl-1-trimethylsilylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(1R,2E,6E,10E)-3,7,11,15-tetramethyl-1-trimethylsilylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(1R,2E,6E,10E)-3,7,11,15-tetramethyl-1-trimethylsilylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate is CC(C)=CCC/C(C)=C/CC/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,10E)-3,7,11,15-tetramethyl-1-trimethylsilylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is BGDNJWDDUGEBPR-FBUSXABDSA-N. The full InChI is InChI=1S/C30H55NO2Si/c1-23(2)16-13-17-26(7)18-14-19-27(8)20-15-21-28(9)22-29(34(10,11)12)33-30(32)31(24(3)4)25(5)6/h16,18,20,22,24-25,29H,13-15,17,19,21H2,1-12H3/b26-18+,27-20+,28-22+/t29-/m1/s1.
What are the key properties of [(1R,2E,6E,10E)-3,7,11,15-tetramethyl-1-trimethylsilylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate?
[(1R,2E,6E,10E)-3,7,11,15-tetramethyl-1-trimethylsilylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 489.86 g/mol, XLogP of 9.63, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2E,6E,10E)-3,7,11,15-tetramethyl-1-trimethylsilylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 146165573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).