[(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate

C20H37NO3 — CID 23631775

IUPAC[(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)=C/C(=C/C(C)C(O)C(C)(C)C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C20H37NO3/c1-13(2)11-17(12-16(7)18(22)20(8,9)10)24-19(23)21(14(3)4)15(5)6/h11-12,14-16,18,22H,1-10H3/b17-12-
InChIKeyZXMANANIFGIPPC-ATVHPVEESA-N
MW339.52 g/mol
LogP5.14
Rot. Bonds6

About [(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate

[(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 23631775) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is [(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate
PubChem CID23631775
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Name[(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)=C/C(=C/C(C)C(O)C(C)(C)C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C20H37NO3/c1-13(2)11-17(12-16(7)18(22)20(8,9)10)24-19(23)21(14(3)4)15(5)6/h11-12,14-16,18,22H,1-10H3/b17-12-
InChIKeyZXMANANIFGIPPC-ATVHPVEESA-N
XLogP5.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate;tris(propan-2-ol);titanium
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[(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate
CID 135050712
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Frequently Asked Questions

What is the IUPAC name of [(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate (CID 23631775) is [(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate is CC(C)=C/C(=C/C(C)C(O)C(C)(C)C)OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is ZXMANANIFGIPPC-ATVHPVEESA-N. The full InChI is InChI=1S/C20H37NO3/c1-13(2)11-17(12-16(7)18(22)20(8,9)10)24-19(23)21(14(3)4)15(5)6/h11-12,14-16,18,22H,1-10H3/b17-12-.
What are the key properties of [(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate?
[(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate has a molecular weight of 339.52 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 23631775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).