3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate

C31H51NO2 — CID 54405245

IUPAC3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate
SMILESCC(C)=CCCC(C)=CCCC(C)=CCNC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C31H51NO2/c1-25(2)13-9-15-27(5)17-11-19-29(7)21-23-32-31(33)34-24-22-30(8)20-12-18-28(6)16-10-14-26(3)4/h13-14,17-18,21-22H,9-12,15-16,19-20,23-24H2,1-8H3,(H,32,33)
InChIKeyVQFXTJBPLIBMGE-UHFFFAOYSA-N
MW469.75 g/mol
LogP9.55
Rot. Bonds16

About 3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate

3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate (PubChem CID 54405245) has the molecular formula C31H51NO2 and a molecular weight of 469.75 g/mol. Its IUPAC name is 3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate.

Molecular Properties

Compound Name3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate
PubChem CID54405245
Molecular FormulaC31H51NO2
Molecular Weight469.75 g/mol
Exact Mass469.39
IUPAC Name3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate
SMILESCC(C)=CCCC(C)=CCCC(C)=CCNC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C31H51NO2/c1-25(2)13-9-15-27(5)17-11-19-29(7)21-23-32-31(33)34-24-22-30(8)20-12-18-28(6)16-10-14-26(3)4/h13-14,17-18,21-22H,9-12,15-16,19-20,23-24H2,1-8H3,(H,32,33)
InChIKeyVQFXTJBPLIBMGE-UHFFFAOYSA-N
XLogP9.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.75
LogP ≤ 59.55
H-Bond Donors ≤ 51
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 3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate?
The IUPAC name of 3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate (CID 54405245) is 3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate.
What is the SMILES notation for 3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate?
The canonical SMILES for 3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate is CC(C)=CCCC(C)=CCCC(C)=CCNC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate?
The InChIKey is VQFXTJBPLIBMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H51NO2/c1-25(2)13-9-15-27(5)17-11-19-29(7)21-23-32-31(33)34-24-22-30(8)20-12-18-28(6)16-10-14-26(3)4/h13-14,17-18,21-22H,9-12,15-16,19-20,23-24H2,1-8H3,(H,32,33).
What are the key properties of 3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate?
3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate has a molecular weight of 469.75 g/mol, XLogP of 9.55, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate is sourced from PubChem (CID 54405245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).