[(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate

C17H29NO2 — CID 118892625

IUPAC[(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate
SMILESC=C/C=C(\C)CC/C=C/COC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C17H29NO2/c1-7-11-16(6)12-9-8-10-13-20-17(19)18(14(2)3)15(4)5/h7-8,10-11,14-15H,1,9,12-13H2,2-6H3/b10-8+,16-11+
InChIKeyQNWHNPADGVLRCP-MDZLNXBVSA-N
MW279.42 g/mol
LogP4.71
Rot. Bonds8

About [(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate

[(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate (PubChem CID 118892625) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is [(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate
PubChem CID118892625
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name[(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate
SMILESC=C/C=C(\C)CC/C=C/COC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C17H29NO2/c1-7-11-16(6)12-9-8-10-13-20-17(19)18(14(2)3)15(4)5/h7-8,10-11,14-15H,1,9,12-13H2,2-6H3/b10-8+,16-11+
InChIKeyQNWHNPADGVLRCP-MDZLNXBVSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate (CID 118892625) is [(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate is C=C/C=C(\C)CC/C=C/COC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is QNWHNPADGVLRCP-MDZLNXBVSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-11-16(6)12-9-8-10-13-20-17(19)18(14(2)3)15(4)5/h7-8,10-11,14-15H,1,9,12-13H2,2-6H3/b10-8+,16-11+.
What are the key properties of [(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate?
[(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 279.42 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 118892625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).