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

C11H20O — CID 10725799

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

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

(Z)-5-methyl-2-(2-methylpropyl)hex-2-enal (PubChem CID 10725799) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z)-5-methyl-2-(2-methylpropyl)hex-2-enal.

Molecular Properties

Compound Name(Z)-5-methyl-2-(2-methylpropyl)hex-2-enal
PubChem CID10725799
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(Z)-5-methyl-2-(2-methylpropyl)hex-2-enal
SMILESCC(C)C/C=C(\C=O)CC(C)C
InChIInChI=1S/C11H20O/c1-9(2)5-6-11(8-12)7-10(3)4/h6,8-10H,5,7H2,1-4H3/b11-6-
InChIKeyFSQIWHRVCQACOU-WDZFZDKYSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-2-(2-methylpropyl)hex-2-enal?
The IUPAC name of (Z)-5-methyl-2-(2-methylpropyl)hex-2-enal (CID 10725799) is (Z)-5-methyl-2-(2-methylpropyl)hex-2-enal.
What is the SMILES notation for (Z)-5-methyl-2-(2-methylpropyl)hex-2-enal?
The canonical SMILES for (Z)-5-methyl-2-(2-methylpropyl)hex-2-enal is CC(C)C/C=C(\C=O)CC(C)C.
What is the InChIKey of (Z)-5-methyl-2-(2-methylpropyl)hex-2-enal?
The InChIKey is FSQIWHRVCQACOU-WDZFZDKYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)5-6-11(8-12)7-10(3)4/h6,8-10H,5,7H2,1-4H3/b11-6-.
What are the key properties of (Z)-5-methyl-2-(2-methylpropyl)hex-2-enal?
(Z)-5-methyl-2-(2-methylpropyl)hex-2-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-2-(2-methylpropyl)hex-2-enal is sourced from PubChem (CID 10725799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).