(Z)-2,3-dimethylpent-2-enal

C7H12O — CID 20632726

IUPAC(Z)-2,3-dimethylpent-2-enal
SMILESCC/C(C)=C(/C)C=O
InChIInChI=1S/C7H12O/c1-4-6(2)7(3)5-8/h5H,4H2,1-3H3/b7-6-
InChIKeyVQXPWRZKVJLODT-SREVYHEPSA-N
MW112.17 g/mol
LogP1.93
Rot. Bonds2

About (Z)-2,3-dimethylpent-2-enal

(Z)-2,3-dimethylpent-2-enal (PubChem CID 20632726) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (Z)-2,3-dimethylpent-2-enal.

Molecular Properties

Compound Name(Z)-2,3-dimethylpent-2-enal
PubChem CID20632726
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(Z)-2,3-dimethylpent-2-enal
SMILESCC/C(C)=C(/C)C=O
InChIInChI=1S/C7H12O/c1-4-6(2)7(3)5-8/h5H,4H2,1-3H3/b7-6-
InChIKeyVQXPWRZKVJLODT-SREVYHEPSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.93
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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Related Compounds

(E)-2-Methyl-2-pentenal
CID 5319754
2-Methyl-2-pentenal
CID 12177
2-Butenal, 2-ethyl-
CID 5362897
2-Methyl-2-pentenal, (2Z)-
CID 12376292
2-Methyl-2-hexenal
CID 5364534
2-Ethyl-but-2-enal
CID 29773
2-Pentenal, 3-methyl-
CID 94268
E-3-Chloro-2-ethyl-but-2-enal
CID 5352292
2-Pentenal, 2-ethyl-
CID 5364439
2,4-Dimethylpent-2-enal
CID 11007851
2,3-Dimethyl-but-2-enal
CID 11018812
2-Ethyl-2-pentenal
CID 543313

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-dimethylpent-2-enal?
The IUPAC name of (Z)-2,3-dimethylpent-2-enal (CID 20632726) is (Z)-2,3-dimethylpent-2-enal.
What is the SMILES notation for (Z)-2,3-dimethylpent-2-enal?
The canonical SMILES for (Z)-2,3-dimethylpent-2-enal is CC/C(C)=C(/C)C=O.
What is the InChIKey of (Z)-2,3-dimethylpent-2-enal?
The InChIKey is VQXPWRZKVJLODT-SREVYHEPSA-N. The full InChI is InChI=1S/C7H12O/c1-4-6(2)7(3)5-8/h5H,4H2,1-3H3/b7-6-.
What are the key properties of (Z)-2,3-dimethylpent-2-enal?
(Z)-2,3-dimethylpent-2-enal has a molecular weight of 112.17 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dimethylpent-2-enal is sourced from PubChem (CID 20632726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).