[(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane

C18H29NO — CID 155030355

IUPAC[(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane
SMILESC=C(C)/C=C\C(=C/CN=O)C1CCCCCCCCC1
InChIInChI=1S/C18H29NO/c1-16(2)12-13-18(14-15-19-20)17-10-8-6-4-3-5-7-9-11-17/h12-14,17H,1,3-11,15H2,2H3/b13-12-,18-14+
InChIKeyHLXLUZBXPBTRDP-BFJFDWDHSA-N
MW275.44 g/mol
LogP5.95
Rot. Bonds5

About [(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane

[(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane (PubChem CID 155030355) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane.

Molecular Properties

Compound Name[(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane
PubChem CID155030355
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane
SMILESC=C(C)/C=C\C(=C/CN=O)C1CCCCCCCCC1
InChIInChI=1S/C18H29NO/c1-16(2)12-13-18(14-15-19-20)17-10-8-6-4-3-5-7-9-11-17/h12-14,17H,1,3-11,15H2,2H3/b13-12-,18-14+
InChIKeyHLXLUZBXPBTRDP-BFJFDWDHSA-N
XLogP5.95
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane?
The IUPAC name of [(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane (CID 155030355) is [(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane.
What is the SMILES notation for [(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane?
The canonical SMILES for [(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane is C=C(C)/C=C\C(=C/CN=O)C1CCCCCCCCC1.
What is the InChIKey of [(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane?
The InChIKey is HLXLUZBXPBTRDP-BFJFDWDHSA-N. The full InChI is InChI=1S/C18H29NO/c1-16(2)12-13-18(14-15-19-20)17-10-8-6-4-3-5-7-9-11-17/h12-14,17H,1,3-11,15H2,2H3/b13-12-,18-14+.
What are the key properties of [(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane?
[(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane has a molecular weight of 275.44 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane is sourced from PubChem (CID 155030355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).