2,5,9-trimethyl-1-nitrosodec-2-ene

C13H25NO — CID 91456712

IUPAC2,5,9-trimethyl-1-nitrosodec-2-ene
SMILESCC(=CCC(C)CCCC(C)C)CN=O
InChIInChI=1S/C13H25NO/c1-11(2)6-5-7-12(3)8-9-13(4)10-14-15/h9,11-12H,5-8,10H2,1-4H3
InChIKeyDKZYDCKINJBZAA-UHFFFAOYSA-N
MW211.35 g/mol
LogP4.55
Rot. Bonds8

About 2,5,9-trimethyl-1-nitrosodec-2-ene

2,5,9-trimethyl-1-nitrosodec-2-ene (PubChem CID 91456712) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,5,9-trimethyl-1-nitrosodec-2-ene.

Molecular Properties

Compound Name2,5,9-trimethyl-1-nitrosodec-2-ene
PubChem CID91456712
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,5,9-trimethyl-1-nitrosodec-2-ene
SMILESCC(=CCC(C)CCCC(C)C)CN=O
InChIInChI=1S/C13H25NO/c1-11(2)6-5-7-12(3)8-9-13(4)10-14-15/h9,11-12H,5-8,10H2,1-4H3
InChIKeyDKZYDCKINJBZAA-UHFFFAOYSA-N
XLogP4.55
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(E,4E)-4-[(3R)-3,7-dimethyloctylidene]-3-methylpent-2-enedioic acid
CID 2248128
2,6,10,15,19,23-hexamethyltetracos-12-ene
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3,5,9-trimethyldec-2-ene
CID 123396305
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
2,6,10-trimethylundec-2-ene
CID 14805750
(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184
(2E)-3,7,11-trimethyldodeca-2,4-diene
CID 175358855
(E)-4,8,12-trimethyltridec-3-enenitrile
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1-bromo-3,7,11-trimethyldodeca-2,4-diene
CID 154093071

Frequently Asked Questions

What is the IUPAC name of 2,5,9-trimethyl-1-nitrosodec-2-ene?
The IUPAC name of 2,5,9-trimethyl-1-nitrosodec-2-ene (CID 91456712) is 2,5,9-trimethyl-1-nitrosodec-2-ene.
What is the SMILES notation for 2,5,9-trimethyl-1-nitrosodec-2-ene?
The canonical SMILES for 2,5,9-trimethyl-1-nitrosodec-2-ene is CC(=CCC(C)CCCC(C)C)CN=O.
What is the InChIKey of 2,5,9-trimethyl-1-nitrosodec-2-ene?
The InChIKey is DKZYDCKINJBZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)6-5-7-12(3)8-9-13(4)10-14-15/h9,11-12H,5-8,10H2,1-4H3.
What are the key properties of 2,5,9-trimethyl-1-nitrosodec-2-ene?
2,5,9-trimethyl-1-nitrosodec-2-ene has a molecular weight of 211.35 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,9-trimethyl-1-nitrosodec-2-ene is sourced from PubChem (CID 91456712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).