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

C27H47NO2 — CID 146165572

IUPAC[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-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/COC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C27H47NO2/c1-21(2)13-10-14-24(7)15-11-16-25(8)17-12-18-26(9)19-20-30-27(29)28(22(3)4)23(5)6/h13,15,17,19,22-23H,10-12,14,16,18,20H2,1-9H3/b24-15+,25-17+,26-19+
InChIKeyIYZYFJUUKJUCGQ-QGBZOTKOSA-N
MW417.68 g/mol
LogP8.39
Rot. Bonds13

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

[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate (PubChem CID 146165572) has the molecular formula C27H47NO2 and a molecular weight of 417.68 g/mol. Its IUPAC name is [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate
PubChem CID146165572
Molecular FormulaC27H47NO2
Molecular Weight417.68 g/mol
Exact Mass417.36
IUPAC Name[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-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/COC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C27H47NO2/c1-21(2)13-10-14-24(7)15-11-16-25(8)17-12-18-26(9)19-20-30-27(29)28(22(3)4)23(5)6/h13,15,17,19,22-23H,10-12,14,16,18,20H2,1-9H3/b24-15+,25-17+,26-19+
InChIKeyIYZYFJUUKJUCGQ-QGBZOTKOSA-N
XLogP8.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate (CID 146165572) is [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-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/COC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is IYZYFJUUKJUCGQ-QGBZOTKOSA-N. The full InChI is InChI=1S/C27H47NO2/c1-21(2)13-10-14-24(7)15-11-16-25(8)17-12-18-26(9)19-20-30-27(29)28(22(3)4)23(5)6/h13,15,17,19,22-23H,10-12,14,16,18,20H2,1-9H3/b24-15+,25-17+,26-19+.
What are the key properties of [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate?
[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 417.68 g/mol, XLogP of 8.39, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 146165572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).