2-(2-methylpropyl)-5-phenylpent-3-enal

C15H20O — CID 173306473

IUPAC2-(2-methylpropyl)-5-phenylpent-3-enal
SMILESCC(C)CC(C=O)C=CCc1ccccc1
InChIInChI=1S/C15H20O/c1-13(2)11-15(12-16)10-6-9-14-7-4-3-5-8-14/h3-8,10,12-13,15H,9,11H2,1-2H3
InChIKeyRSMQZICKXICVNP-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.65
Rot. Bonds6

About 2-(2-methylpropyl)-5-phenylpent-3-enal

2-(2-methylpropyl)-5-phenylpent-3-enal (PubChem CID 173306473) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-phenylpent-3-enal.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-phenylpent-3-enal
PubChem CID173306473
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-(2-methylpropyl)-5-phenylpent-3-enal
SMILESCC(C)CC(C=O)C=CCc1ccccc1
InChIInChI=1S/C15H20O/c1-13(2)11-15(12-16)10-6-9-14-7-4-3-5-8-14/h3-8,10,12-13,15H,9,11H2,1-2H3
InChIKeyRSMQZICKXICVNP-UHFFFAOYSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.65
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

4-phenylpent-2-enylbenzene
CID 72731182
(E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol
CID 54753064
methyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate
CID 101141877
6-phenylhexa-2,4-dienylbenzene;titanium
CID 161467723
4-methyl-2-(phenylmethoxymethyl)pentanal
CID 141220346
3-benzyl-5-methylhexanal
CID 91400659
N-methylmethanamine;2-phenylacetaldehyde
CID 175168726
4-phenylbut-2-ene-1-thiol
CID 54126363
carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+)
CID 173208197
N,N-dimethylmethanamine;2-phenylacetaldehyde
CID 87974312
2-methylpropanal;phenylmethanamine
CID 145350401
formic acid;2-methylpropylbenzene
CID 162001374

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-phenylpent-3-enal?
The IUPAC name of 2-(2-methylpropyl)-5-phenylpent-3-enal (CID 173306473) is 2-(2-methylpropyl)-5-phenylpent-3-enal.
What is the SMILES notation for 2-(2-methylpropyl)-5-phenylpent-3-enal?
The canonical SMILES for 2-(2-methylpropyl)-5-phenylpent-3-enal is CC(C)CC(C=O)C=CCc1ccccc1.
What is the InChIKey of 2-(2-methylpropyl)-5-phenylpent-3-enal?
The InChIKey is RSMQZICKXICVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-13(2)11-15(12-16)10-6-9-14-7-4-3-5-8-14/h3-8,10,12-13,15H,9,11H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-5-phenylpent-3-enal?
2-(2-methylpropyl)-5-phenylpent-3-enal has a molecular weight of 216.32 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-phenylpent-3-enal is sourced from PubChem (CID 173306473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).