(1-iodo-2-prop-2-enylpent-4-enyl)benzene

C14H17I — CID 141223385

IUPAC(1-iodo-2-prop-2-enylpent-4-enyl)benzene
SMILESC=CCC(CC=C)C(I)c1ccccc1
InChIInChI=1S/C14H17I/c1-3-8-12(9-4-2)14(15)13-10-6-5-7-11-13/h3-7,10-12,14H,1-2,8-9H2
InChIKeyQVXWUUIFDIBHRX-UHFFFAOYSA-N
MW312.19 g/mol
LogP4.93
Rot. Bonds6

About (1-iodo-2-prop-2-enylpent-4-enyl)benzene

(1-iodo-2-prop-2-enylpent-4-enyl)benzene (PubChem CID 141223385) has the molecular formula C14H17I and a molecular weight of 312.19 g/mol. Its IUPAC name is (1-iodo-2-prop-2-enylpent-4-enyl)benzene.

Molecular Properties

Compound Name(1-iodo-2-prop-2-enylpent-4-enyl)benzene
PubChem CID141223385
Molecular FormulaC14H17I
Molecular Weight312.19 g/mol
Exact Mass312.04
IUPAC Name(1-iodo-2-prop-2-enylpent-4-enyl)benzene
SMILESC=CCC(CC=C)C(I)c1ccccc1
InChIInChI=1S/C14H17I/c1-3-8-12(9-4-2)14(15)13-10-6-5-7-11-13/h3-7,10-12,14H,1-2,8-9H2
InChIKeyQVXWUUIFDIBHRX-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride
CID 173005036
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
1-phenyl-2-prop-2-enylpent-4-en-1-amine;sulfuric acid
CID 175100507
3-phenylhexa-1,5-dien-2-ol
CID 173444348
(1-ethenyl-2-phenylpent-4-enyl)benzene
CID 175560840
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
1-iodoprop-2-enylbenzene
CID 21195039
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
1-phenylbut-3-enylhydrazine
CID 105199312
(3S)-3-phenylhex-5-enal
CID 11229081
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226

Frequently Asked Questions

What is the IUPAC name of (1-iodo-2-prop-2-enylpent-4-enyl)benzene?
The IUPAC name of (1-iodo-2-prop-2-enylpent-4-enyl)benzene (CID 141223385) is (1-iodo-2-prop-2-enylpent-4-enyl)benzene.
What is the SMILES notation for (1-iodo-2-prop-2-enylpent-4-enyl)benzene?
The canonical SMILES for (1-iodo-2-prop-2-enylpent-4-enyl)benzene is C=CCC(CC=C)C(I)c1ccccc1.
What is the InChIKey of (1-iodo-2-prop-2-enylpent-4-enyl)benzene?
The InChIKey is QVXWUUIFDIBHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17I/c1-3-8-12(9-4-2)14(15)13-10-6-5-7-11-13/h3-7,10-12,14H,1-2,8-9H2.
What are the key properties of (1-iodo-2-prop-2-enylpent-4-enyl)benzene?
(1-iodo-2-prop-2-enylpent-4-enyl)benzene has a molecular weight of 312.19 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodo-2-prop-2-enylpent-4-enyl)benzene is sourced from PubChem (CID 141223385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).