5-methyl-2-(3-methylbut-3-enyl)-2-prop-2-enoxyhex-5-enal

C15H24O2 — CID 135079526

IUPAC5-methyl-2-(3-methylbut-3-enyl)-2-prop-2-enoxyhex-5-enal
SMILESC=CCOC(C=O)(CCC(=C)C)CCC(=C)C
InChIInChI=1S/C15H24O2/c1-6-11-17-15(12-16,9-7-13(2)3)10-8-14(4)5/h6,12H,1-2,4,7-11H2,3,5H3
InChIKeyMJVGWSYUJFDKHP-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.84
Rot. Bonds10

About 5-methyl-2-(3-methylbut-3-enyl)-2-prop-2-enoxyhex-5-enal

5-methyl-2-(3-methylbut-3-enyl)-2-prop-2-enoxyhex-5-enal (PubChem CID 135079526) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5-methyl-2-(3-methylbut-3-enyl)-2-prop-2-enoxyhex-5-enal.

Molecular Properties

Compound Name5-methyl-2-(3-methylbut-3-enyl)-2-prop-2-enoxyhex-5-enal
PubChem CID135079526
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5-methyl-2-(3-methylbut-3-enyl)-2-prop-2-enoxyhex-5-enal
SMILESC=CCOC(C=O)(CCC(=C)C)CCC(=C)C
InChIInChI=1S/C15H24O2/c1-6-11-17-15(12-16,9-7-13(2)3)10-8-14(4)5/h6,12H,1-2,4,7-11H2,3,5H3
InChIKeyMJVGWSYUJFDKHP-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylbut-3-enyl)-2-prop-2-enoxyhex-5-enal?
The IUPAC name of 5-methyl-2-(3-methylbut-3-enyl)-2-prop-2-enoxyhex-5-enal (CID 135079526) is 5-methyl-2-(3-methylbut-3-enyl)-2-prop-2-enoxyhex-5-enal.
What is the SMILES notation for 5-methyl-2-(3-methylbut-3-enyl)-2-prop-2-enoxyhex-5-enal?
The canonical SMILES for 5-methyl-2-(3-methylbut-3-enyl)-2-prop-2-enoxyhex-5-enal is C=CCOC(C=O)(CCC(=C)C)CCC(=C)C.
What is the InChIKey of 5-methyl-2-(3-methylbut-3-enyl)-2-prop-2-enoxyhex-5-enal?
The InChIKey is MJVGWSYUJFDKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-11-17-15(12-16,9-7-13(2)3)10-8-14(4)5/h6,12H,1-2,4,7-11H2,3,5H3.
What are the key properties of 5-methyl-2-(3-methylbut-3-enyl)-2-prop-2-enoxyhex-5-enal?
5-methyl-2-(3-methylbut-3-enyl)-2-prop-2-enoxyhex-5-enal has a molecular weight of 236.35 g/mol, XLogP of 3.84, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylbut-3-enyl)-2-prop-2-enoxyhex-5-enal is sourced from PubChem (CID 135079526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).