(Z)-3-ethylimino-2-methylhex-4-en-2-ol

C9H17NO — CID 154964960

IUPAC(Z)-3-ethylimino-2-methylhex-4-en-2-ol
SMILESC/C=C\C(=N/CC)C(C)(C)O
InChIInChI=1S/C9H17NO/c1-5-7-8(10-6-2)9(3,4)11/h5,7,11H,6H2,1-4H3/b7-5-,10-8+
InChIKeyJWCMANTUIGFEFY-SUTBWYPISA-N
MW155.24 g/mol
LogP1.79
Rot. Bonds3

About (Z)-3-ethylimino-2-methylhex-4-en-2-ol

(Z)-3-ethylimino-2-methylhex-4-en-2-ol (PubChem CID 154964960) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-3-ethylimino-2-methylhex-4-en-2-ol.

Molecular Properties

Compound Name(Z)-3-ethylimino-2-methylhex-4-en-2-ol
PubChem CID154964960
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z)-3-ethylimino-2-methylhex-4-en-2-ol
SMILESC/C=C\C(=N/CC)C(C)(C)O
InChIInChI=1S/C9H17NO/c1-5-7-8(10-6-2)9(3,4)11/h5,7,11H,6H2,1-4H3/b7-5-,10-8+
InChIKeyJWCMANTUIGFEFY-SUTBWYPISA-N
XLogP1.79
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethylimino-2-methylhex-4-en-2-ol?
The IUPAC name of (Z)-3-ethylimino-2-methylhex-4-en-2-ol (CID 154964960) is (Z)-3-ethylimino-2-methylhex-4-en-2-ol.
What is the SMILES notation for (Z)-3-ethylimino-2-methylhex-4-en-2-ol?
The canonical SMILES for (Z)-3-ethylimino-2-methylhex-4-en-2-ol is C/C=C\C(=N/CC)C(C)(C)O.
What is the InChIKey of (Z)-3-ethylimino-2-methylhex-4-en-2-ol?
The InChIKey is JWCMANTUIGFEFY-SUTBWYPISA-N. The full InChI is InChI=1S/C9H17NO/c1-5-7-8(10-6-2)9(3,4)11/h5,7,11H,6H2,1-4H3/b7-5-,10-8+.
What are the key properties of (Z)-3-ethylimino-2-methylhex-4-en-2-ol?
(Z)-3-ethylimino-2-methylhex-4-en-2-ol has a molecular weight of 155.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethylimino-2-methylhex-4-en-2-ol is sourced from PubChem (CID 154964960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).