(E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal

C14H16O — CID 10584199

IUPAC(E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal
SMILESC=C(/C=C/c1ccccc1)C(C)(C)C=O
InChIInChI=1S/C14H16O/c1-12(14(2,3)11-15)9-10-13-7-5-4-6-8-13/h4-11H,1H2,2-3H3/b10-9+
InChIKeyNRMAIGDVWUGFHB-MDZDMXLPSA-N
MW200.28 g/mol
LogP3.48
Rot. Bonds4

About (E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal

(E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal (PubChem CID 10584199) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal.

Molecular Properties

Compound Name(E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal
PubChem CID10584199
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal
SMILESC=C(/C=C/c1ccccc1)C(C)(C)C=O
InChIInChI=1S/C14H16O/c1-12(14(2,3)11-15)9-10-13-7-5-4-6-8-13/h4-11H,1H2,2-3H3/b10-9+
InChIKeyNRMAIGDVWUGFHB-MDZDMXLPSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 157125853
(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one
CID 6156309
N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
CID 5080488
[(3E)-3-tert-butylpenta-1,3-dienyl]benzene
CID 144969758
[(1Z)-3-methoxybuta-1,3-dienyl]benzene
CID 24972289
azane;2-methylidene-4-phenylbut-3-enoic acid
CID 173161880
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890
6,6-dimethyl-1-phenylhept-1-ene-3,5-dione
CID 54280187
[(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene
CID 142883812

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal?
The IUPAC name of (E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal (CID 10584199) is (E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal.
What is the SMILES notation for (E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal?
The canonical SMILES for (E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal is C=C(/C=C/c1ccccc1)C(C)(C)C=O.
What is the InChIKey of (E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal?
The InChIKey is NRMAIGDVWUGFHB-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H16O/c1-12(14(2,3)11-15)9-10-13-7-5-4-6-8-13/h4-11H,1H2,2-3H3/b10-9+.
What are the key properties of (E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal?
(E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal has a molecular weight of 200.28 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal is sourced from PubChem (CID 10584199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).