2-ethyl-2,3,3-trimethylpent-4-enal

C10H18O — CID 145209008

IUPAC2-ethyl-2,3,3-trimethylpent-4-enal
SMILESC=CC(C)(C)C(C)(C=O)CC
InChIInChI=1S/C10H18O/c1-6-9(3,4)10(5,7-2)8-11/h6,8H,1,7H2,2-5H3
InChIKeyDKUUCLSQXOABSG-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.81
Rot. Bonds4

About 2-ethyl-2,3,3-trimethylpent-4-enal

2-ethyl-2,3,3-trimethylpent-4-enal (PubChem CID 145209008) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-ethyl-2,3,3-trimethylpent-4-enal.

Molecular Properties

Compound Name2-ethyl-2,3,3-trimethylpent-4-enal
PubChem CID145209008
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-ethyl-2,3,3-trimethylpent-4-enal
SMILESC=CC(C)(C)C(C)(C=O)CC
InChIInChI=1S/C10H18O/c1-6-9(3,4)10(5,7-2)8-11/h6,8H,1,7H2,2-5H3
InChIKeyDKUUCLSQXOABSG-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.81
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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Related Compounds

2-ethyl-2,3,3-trimethylbutanedial
CID 142704092
2-ethyl-2-methyl-3,3-diphenylbutanal
CID 175440032
3,3-dimethylpent-1-ene;ethane
CID 142059460
bis(buta-1,3-diene);butane;ethane;tetrakis(2-methoxy-2-methylpropanedial)
CID 162283940
2-chloro-2-methylbutanal
CID 13199209
2,2,3,3-tetraethylbutanedial
CID 154181619
3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene
CID 162304109
(3S)-3-ethyl-2,2-dimethylpent-4-enal
CID 101372299
3-ethyl-4-methyl-3-propan-2-ylpent-1-ene
CID 141443775
(2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol
CID 46217912
3,3-difluorobut-1-ene;propane
CID 143721745
2,3,3-trimethylpent-4-en-2-ylsilane
CID 175326374

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3,3-trimethylpent-4-enal?
The IUPAC name of 2-ethyl-2,3,3-trimethylpent-4-enal (CID 145209008) is 2-ethyl-2,3,3-trimethylpent-4-enal.
What is the SMILES notation for 2-ethyl-2,3,3-trimethylpent-4-enal?
The canonical SMILES for 2-ethyl-2,3,3-trimethylpent-4-enal is C=CC(C)(C)C(C)(C=O)CC.
What is the InChIKey of 2-ethyl-2,3,3-trimethylpent-4-enal?
The InChIKey is DKUUCLSQXOABSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-6-9(3,4)10(5,7-2)8-11/h6,8H,1,7H2,2-5H3.
What are the key properties of 2-ethyl-2,3,3-trimethylpent-4-enal?
2-ethyl-2,3,3-trimethylpent-4-enal has a molecular weight of 154.25 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3,3-trimethylpent-4-enal is sourced from PubChem (CID 145209008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).