1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea

C17H30N2O — CID 118720728

IUPAC1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea
SMILESCC(C)=CCC/C(C)=C\CNC(=O)NC1CCCCC1
InChIInChI=1S/C17H30N2O/c1-14(2)8-7-9-15(3)12-13-18-17(20)19-16-10-5-4-6-11-16/h8,12,16H,4-7,9-11,13H2,1-3H3,(H2,18,19,20)/b15-12-
InChIKeyBLANVSRTMZZAIG-QINSGFPZSA-N
MW278.44 g/mol
LogP4.31
Rot. Bonds6

About 1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea

1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea (PubChem CID 118720728) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea
PubChem CID118720728
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea
SMILESCC(C)=CCC/C(C)=C\CNC(=O)NC1CCCCC1
InChIInChI=1S/C17H30N2O/c1-14(2)8-7-9-15(3)12-13-18-17(20)19-16-10-5-4-6-11-16/h8,12,16H,4-7,9-11,13H2,1-3H3,(H2,18,19,20)/b15-12-
InChIKeyBLANVSRTMZZAIG-QINSGFPZSA-N
XLogP4.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea (CID 118720728) is 1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea is CC(C)=CCC/C(C)=C\CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea?
The InChIKey is BLANVSRTMZZAIG-QINSGFPZSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14(2)8-7-9-15(3)12-13-18-17(20)19-16-10-5-4-6-11-16/h8,12,16H,4-7,9-11,13H2,1-3H3,(H2,18,19,20)/b15-12-.
What are the key properties of 1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea?
1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea has a molecular weight of 278.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea is sourced from PubChem (CID 118720728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).