(Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]oxyethanimine

C9H17NO — CID 170035529

IUPAC(Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]oxyethanimine
SMILESC/C=N\O/C(=C\C)C(C)(C)C
InChIInChI=1S/C9H17NO/c1-6-8(9(3,4)5)11-10-7-2/h6-7H,1-5H3/b8-6-,10-7-
InChIKeyGGSUGAIGIARGBC-YOYBIJIWSA-N
MW155.24 g/mol
LogP2.96
Rot. Bonds2

About (Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]oxyethanimine

(Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]oxyethanimine (PubChem CID 170035529) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]oxyethanimine.

Molecular Properties

Compound Name(Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]oxyethanimine
PubChem CID170035529
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]oxyethanimine
SMILESC/C=N\O/C(=C\C)C(C)(C)C
InChIInChI=1S/C9H17NO/c1-6-8(9(3,4)5)11-10-7-2/h6-7H,1-5H3/b8-6-,10-7-
InChIKeyGGSUGAIGIARGBC-YOYBIJIWSA-N
XLogP2.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]oxyethanimine?
The IUPAC name of (Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]oxyethanimine (CID 170035529) is (Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]oxyethanimine.
What is the SMILES notation for (Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]oxyethanimine?
The canonical SMILES for (Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]oxyethanimine is C/C=N\O/C(=C\C)C(C)(C)C.
What is the InChIKey of (Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]oxyethanimine?
The InChIKey is GGSUGAIGIARGBC-YOYBIJIWSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-8(9(3,4)5)11-10-7-2/h6-7H,1-5H3/b8-6-,10-7-.
What are the key properties of (Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]oxyethanimine?
(Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]oxyethanimine has a molecular weight of 155.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]oxyethanimine is sourced from PubChem (CID 170035529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).