2,6,6-trimethyl-7-nitrosooct-2-ene

C11H21NO — CID 123195105

IUPAC2,6,6-trimethyl-7-nitrosooct-2-ene
SMILESCC(C)=CCCC(C)(C)C(C)N=O
InChIInChI=1S/C11H21NO/c1-9(2)7-6-8-11(4,5)10(3)12-13/h7,10H,6,8H2,1-5H3
InChIKeyTZXKLZWNDAPXBV-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.91
Rot. Bonds5

About 2,6,6-trimethyl-7-nitrosooct-2-ene

2,6,6-trimethyl-7-nitrosooct-2-ene (PubChem CID 123195105) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,6,6-trimethyl-7-nitrosooct-2-ene.

Molecular Properties

Compound Name2,6,6-trimethyl-7-nitrosooct-2-ene
PubChem CID123195105
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,6,6-trimethyl-7-nitrosooct-2-ene
SMILESCC(C)=CCCC(C)(C)C(C)N=O
InChIInChI=1S/C11H21NO/c1-9(2)7-6-8-11(4,5)10(3)12-13/h7,10H,6,8H2,1-5H3
InChIKeyTZXKLZWNDAPXBV-UHFFFAOYSA-N
XLogP3.91
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.91
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

(2R)-3,3,7-trimethyloct-6-en-2-ol
CID 89306625
7-methoxy-2,6,6-trimethyloct-2-ene
CID 89306696
6-isocyano-2,6,7-trimethyloct-2-ene
CID 123535412
4,4,8-trimethylnon-7-enal
CID 121006941
(4R)-4,8-dimethylnon-7-en-4-ol
CID 90181485
(3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal
CID 153352209
6-ethyl-2,6,7-trimethylnon-2-ene
CID 123408225
2,2,3,7-tetramethyloct-6-enyl acetate
CID 155155943
4-ethenyl-4,8-dimethylnon-7-en-2-ol
CID 10397794
5,9-dimethyldeca-2,8-dien-5-ol
CID 141182025
6-methoxy-2,6-dimethylhept-2-ene
CID 14793993
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-7-nitrosooct-2-ene?
The IUPAC name of 2,6,6-trimethyl-7-nitrosooct-2-ene (CID 123195105) is 2,6,6-trimethyl-7-nitrosooct-2-ene.
What is the SMILES notation for 2,6,6-trimethyl-7-nitrosooct-2-ene?
The canonical SMILES for 2,6,6-trimethyl-7-nitrosooct-2-ene is CC(C)=CCCC(C)(C)C(C)N=O.
What is the InChIKey of 2,6,6-trimethyl-7-nitrosooct-2-ene?
The InChIKey is TZXKLZWNDAPXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)7-6-8-11(4,5)10(3)12-13/h7,10H,6,8H2,1-5H3.
What are the key properties of 2,6,6-trimethyl-7-nitrosooct-2-ene?
2,6,6-trimethyl-7-nitrosooct-2-ene has a molecular weight of 183.29 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-7-nitrosooct-2-ene is sourced from PubChem (CID 123195105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).