5-methylhex-4-en-2-yl 2-hydroxyethanimidate

C9H17NO2 — CID 146420576

IUPAC5-methylhex-4-en-2-yl 2-hydroxyethanimidate
SMILES[H]/N=C(\CO)OC(C)CC=C(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)4-5-8(3)12-9(10)6-11/h4,8,10-11H,5-6H2,1-3H3/b10-9+
InChIKeyRSFFTUMRYPAUPM-MDZDMXLPSA-N
MW171.24 g/mol
LogP1.72
Rot. Bonds4

About 5-methylhex-4-en-2-yl 2-hydroxyethanimidate

5-methylhex-4-en-2-yl 2-hydroxyethanimidate (PubChem CID 146420576) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-methylhex-4-en-2-yl 2-hydroxyethanimidate.

Molecular Properties

Compound Name5-methylhex-4-en-2-yl 2-hydroxyethanimidate
PubChem CID146420576
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5-methylhex-4-en-2-yl 2-hydroxyethanimidate
SMILES[H]/N=C(\CO)OC(C)CC=C(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)4-5-8(3)12-9(10)6-11/h4,8,10-11H,5-6H2,1-3H3/b10-9+
InChIKeyRSFFTUMRYPAUPM-MDZDMXLPSA-N
XLogP1.72
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

carboxy 3,7-dimethyloct-6-enimidate
CID 139305540
2-amino-5-methylhex-4-en-1-ol
CID 55254047
2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
CID 58242815
(2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol
CID 129379674
dodecan-2-yl propanimidate
CID 172567019
(3R)-2,6-dimethylhept-5-en-3-ol
CID 141014300
(3R,4S)-3,7-dimethyloct-6-ene-1,4-diol
CID 162944797
2,5-dimethylhept-2-ene;ethane
CID 144650208
(3R)-3-hydroxy-2,6-dimethylhept-5-enoic acid
CID 87960704
(7-hydroxy-6-methylhept-5-en-2-yl) acetate
CID 165356951
(4S)-3,4,7-trimethyloct-6-enal
CID 89108155
(2E)-3,7-dimethylocta-2,6-diene-1,4-diol
CID 22323960

Frequently Asked Questions

What is the IUPAC name of 5-methylhex-4-en-2-yl 2-hydroxyethanimidate?
The IUPAC name of 5-methylhex-4-en-2-yl 2-hydroxyethanimidate (CID 146420576) is 5-methylhex-4-en-2-yl 2-hydroxyethanimidate.
What is the SMILES notation for 5-methylhex-4-en-2-yl 2-hydroxyethanimidate?
The canonical SMILES for 5-methylhex-4-en-2-yl 2-hydroxyethanimidate is [H]/N=C(\CO)OC(C)CC=C(C)C.
What is the InChIKey of 5-methylhex-4-en-2-yl 2-hydroxyethanimidate?
The InChIKey is RSFFTUMRYPAUPM-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)4-5-8(3)12-9(10)6-11/h4,8,10-11H,5-6H2,1-3H3/b10-9+.
What are the key properties of 5-methylhex-4-en-2-yl 2-hydroxyethanimidate?
5-methylhex-4-en-2-yl 2-hydroxyethanimidate has a molecular weight of 171.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhex-4-en-2-yl 2-hydroxyethanimidate is sourced from PubChem (CID 146420576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).