methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium

C13H19O+ — CID 163985565

IUPACmethyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium
SMILESC[OH+]CC/C=C(\C)Cc1ccccc1
InChIInChI=1S/C13H18O/c1-12(7-6-10-14-2)11-13-8-4-3-5-9-13/h3-5,7-9H,6,10-11H2,1-2H3/p+1/b12-7+
InChIKeyTVZOPRAAYAWWFB-KPKJPENVSA-O
MW191.29 g/mol
LogP2.72
Rot. Bonds5

About methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium

methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium (PubChem CID 163985565) has the molecular formula C13H19O+ and a molecular weight of 191.29 g/mol. Its IUPAC name is methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium.

Molecular Properties

Compound Namemethyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium
PubChem CID163985565
Molecular FormulaC13H19O+
Molecular Weight191.29 g/mol
Exact Mass191.14
IUPAC Namemethyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium
SMILESC[OH+]CC/C=C(\C)Cc1ccccc1
InChIInChI=1S/C13H18O/c1-12(7-6-10-14-2)11-13-8-4-3-5-9-13/h3-5,7-9H,6,10-11H2,1-2H3/p+1/b12-7+
InChIKeyTVZOPRAAYAWWFB-KPKJPENVSA-O
XLogP2.72
TPSA12.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
(2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol
CID 15380841
(2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol
CID 53310712
[(E)-2-methyl-4-[[(E)-3-methyl-4-phenylbut-2-enyl]disulfanyl]but-2-enyl]benzene
CID 11233551
6,10-dimethyl-11-phenylundeca-5,9-dien-2-ol
CID 123873532
(3-chloro-2-methylprop-2-enyl)benzene
CID 71327936
azane;(3-fluoro-2-methylprop-2-enyl)benzene
CID 70515624
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
(E)-3-methyl-4-phenylbut-2-enoic acid
CID 6369541
3-methyl-4-phenylbut-2-enoic acid
CID 22414
N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine
CID 156852680
1-methyl-4-[(Z)-3-methyl-4-phenylbut-2-enyl]sulfonylbenzene
CID 134900740

Frequently Asked Questions

What is the IUPAC name of methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium?
The IUPAC name of methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium (CID 163985565) is methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium.
What is the SMILES notation for methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium?
The canonical SMILES for methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium is C[OH+]CC/C=C(\C)Cc1ccccc1.
What is the InChIKey of methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium?
The InChIKey is TVZOPRAAYAWWFB-KPKJPENVSA-O. The full InChI is InChI=1S/C13H18O/c1-12(7-6-10-14-2)11-13-8-4-3-5-9-13/h3-5,7-9H,6,10-11H2,1-2H3/p+1/b12-7+.
What are the key properties of methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium?
methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium has a molecular weight of 191.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium is sourced from PubChem (CID 163985565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).