(Z)-5-methyl-3-(2-methylpropyl)hex-3-enal

C11H20O — CID 58933338

IUPAC(Z)-5-methyl-3-(2-methylpropyl)hex-3-enal
SMILESCC(C)/C=C(\CC=O)CC(C)C
InChIInChI=1S/C11H20O/c1-9(2)7-11(5-6-12)8-10(3)4/h6-7,9-10H,5,8H2,1-4H3/b11-7+
InChIKeyJBQWVGLEYNJVPV-YRNVUSSQSA-N
MW168.28 g/mol
LogP3.20
Rot. Bonds5

About (Z)-5-methyl-3-(2-methylpropyl)hex-3-enal

(Z)-5-methyl-3-(2-methylpropyl)hex-3-enal (PubChem CID 58933338) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z)-5-methyl-3-(2-methylpropyl)hex-3-enal.

Molecular Properties

Compound Name(Z)-5-methyl-3-(2-methylpropyl)hex-3-enal
PubChem CID58933338
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(Z)-5-methyl-3-(2-methylpropyl)hex-3-enal
SMILESCC(C)/C=C(\CC=O)CC(C)C
InChIInChI=1S/C11H20O/c1-9(2)7-11(5-6-12)8-10(3)4/h6-7,9-10H,5,8H2,1-4H3/b11-7+
InChIKeyJBQWVGLEYNJVPV-YRNVUSSQSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (Z)-5-methyl-3-(2-methylpropyl)hex-3-enal?
The IUPAC name of (Z)-5-methyl-3-(2-methylpropyl)hex-3-enal (CID 58933338) is (Z)-5-methyl-3-(2-methylpropyl)hex-3-enal.
What is the SMILES notation for (Z)-5-methyl-3-(2-methylpropyl)hex-3-enal?
The canonical SMILES for (Z)-5-methyl-3-(2-methylpropyl)hex-3-enal is CC(C)/C=C(\CC=O)CC(C)C.
What is the InChIKey of (Z)-5-methyl-3-(2-methylpropyl)hex-3-enal?
The InChIKey is JBQWVGLEYNJVPV-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)7-11(5-6-12)8-10(3)4/h6-7,9-10H,5,8H2,1-4H3/b11-7+.
What are the key properties of (Z)-5-methyl-3-(2-methylpropyl)hex-3-enal?
(Z)-5-methyl-3-(2-methylpropyl)hex-3-enal has a molecular weight of 168.28 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-3-(2-methylpropyl)hex-3-enal is sourced from PubChem (CID 58933338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).