[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate

C25H43NO2 — CID 89476445

IUPAC[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)OC(=O)NC1CCCCC1
InChIInChI=1S/C25H43NO2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)28-25(27)26-24-18-7-6-8-19-24/h12,14,16,23-24H,6-11,13,15,17-19H2,1-5H3,(H,26,27)/b21-14+,22-16+
InChIKeySKTUWAMUHXQNJS-KTWAZNHYSA-N
MW389.62 g/mol
LogP7.63
Rot. Bonds11

About [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate

[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate (PubChem CID 89476445) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate
PubChem CID89476445
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC Name[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)OC(=O)NC1CCCCC1
InChIInChI=1S/C25H43NO2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)28-25(27)26-24-18-7-6-8-19-24/h12,14,16,23-24H,6-11,13,15,17-19H2,1-5H3,(H,26,27)/b21-14+,22-16+
InChIKeySKTUWAMUHXQNJS-KTWAZNHYSA-N
XLogP7.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate with MolForge

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Related Compounds

[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cycloheptylacetate
CID 149399642
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate
CID 148829427
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 3-methylbutanoate
CID 146825846
1-bromopropan-2-yl N-cyclohexylcarbamate
CID 103970804
propan-2-yl N-cyclooctylcarbamate
CID 116653938
[(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate
CID 11043303
4-O-[2-(cyclohexylcarbamoyloxy)-3-methylbutyl] 1-O-methyl but-2-enedioate
CID 167312524
tricyclohexyl(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphanium bromide
CID 160956477
(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
CID 10036589
3,7-dimethylocta-2,6-dienyl cyclohexanecarboxylate
CID 54106608
(3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol
CID 70435115
(7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one
CID 20591839

Frequently Asked Questions

What is the IUPAC name of [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate?
The IUPAC name of [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate (CID 89476445) is [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate.
What is the SMILES notation for [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate?
The canonical SMILES for [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)OC(=O)NC1CCCCC1.
What is the InChIKey of [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate?
The InChIKey is SKTUWAMUHXQNJS-KTWAZNHYSA-N. The full InChI is InChI=1S/C25H43NO2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)28-25(27)26-24-18-7-6-8-19-24/h12,14,16,23-24H,6-11,13,15,17-19H2,1-5H3,(H,26,27)/b21-14+,22-16+.
What are the key properties of [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate?
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate has a molecular weight of 389.62 g/mol, XLogP of 7.63, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate is sourced from PubChem (CID 89476445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).