(E)-3-methyl-2-nitrosooct-3-ene

C9H17NO — CID 135191859

IUPAC(E)-3-methyl-2-nitrosooct-3-ene
SMILESCCCC/C=C(\C)C(C)N=O
InChIInChI=1S/C9H17NO/c1-4-5-6-7-8(2)9(3)10-11/h7,9H,4-6H2,1-3H3/b8-7+
InChIKeyJYXGIYOOCMEVIU-BQYQJAHWSA-N
MW155.24 g/mol
LogP3.28
Rot. Bonds5

About (E)-3-methyl-2-nitrosooct-3-ene

(E)-3-methyl-2-nitrosooct-3-ene (PubChem CID 135191859) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-3-methyl-2-nitrosooct-3-ene.

Molecular Properties

Compound Name(E)-3-methyl-2-nitrosooct-3-ene
PubChem CID135191859
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-3-methyl-2-nitrosooct-3-ene
SMILESCCCC/C=C(\C)C(C)N=O
InChIInChI=1S/C9H17NO/c1-4-5-6-7-8(2)9(3)10-11/h7,9H,4-6H2,1-3H3/b8-7+
InChIKeyJYXGIYOOCMEVIU-BQYQJAHWSA-N
XLogP3.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trimethyldec-5-ene
CID 123184332
(Z)-2-methoxyhept-2-ene
CID 21160203
7,8-dimethyltridec-6-ene
CID 123214902
2,3,4-trimethyldec-4-ene
CID 123648620
2,3,4-trimethyldeca-1,4-diene
CID 123573024
(E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene
CID 90470665
(E)-3,5-dimethyldec-5-enoic acid
CID 87825875
oxido-[(2S)-3-oxobutan-2-yl]imino-[(Z)-undec-5-en-6-yl]azanium
CID 177463291
4,5-dimethyldeca-3,5-diene
CID 76540100
lithium hept-2-en-2-olate
CID 134859584
4-[(E)-hept-2-en-2-yl]oxybutanoic acid
CID 142940383
2-(2-hydroxypropyl)hept-2-enoic acid
CID 87793618

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-2-nitrosooct-3-ene?
The IUPAC name of (E)-3-methyl-2-nitrosooct-3-ene (CID 135191859) is (E)-3-methyl-2-nitrosooct-3-ene.
What is the SMILES notation for (E)-3-methyl-2-nitrosooct-3-ene?
The canonical SMILES for (E)-3-methyl-2-nitrosooct-3-ene is CCCC/C=C(\C)C(C)N=O.
What is the InChIKey of (E)-3-methyl-2-nitrosooct-3-ene?
The InChIKey is JYXGIYOOCMEVIU-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-6-7-8(2)9(3)10-11/h7,9H,4-6H2,1-3H3/b8-7+.
What are the key properties of (E)-3-methyl-2-nitrosooct-3-ene?
(E)-3-methyl-2-nitrosooct-3-ene has a molecular weight of 155.24 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-2-nitrosooct-3-ene is sourced from PubChem (CID 135191859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).