1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene

C14H18 — CID 143231860

IUPAC1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)CCc1ccc(C(=C)C)cc1
InChIInChI=1S/C14H18/c1-11(2)5-6-13-7-9-14(10-8-13)12(3)4/h7-10H,1,3,5-6H2,2,4H3
InChIKeyDDGSFBSNTQABHA-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.23
Rot. Bonds4

About 1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene

1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene (PubChem CID 143231860) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene
PubChem CID143231860
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)CCc1ccc(C(=C)C)cc1
InChIInChI=1S/C14H18/c1-11(2)5-6-13-7-9-14(10-8-13)12(3)4/h7-10H,1,3,5-6H2,2,4H3
InChIKeyDDGSFBSNTQABHA-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylbut-3-enyl)aniline
CID 126710999
1-fluoro-4-(3-methylbut-3-enyl)benzene
CID 24721825
1-prop-1-en-2-yl-4-[(4-propylphenyl)methyl]benzene
CID 153374408
ethyl 4-(3-methylbut-3-enyl)benzoate
CID 24721809
1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene
CID 58428364
2-methyl-N-[1-[4-(3-methylbut-3-enyl)phenyl]ethenyl]propan-1-amine
CID 146622693
1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine
CID 87132038
1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene
CID 102248016
1-methyl-3,5-bis(3-methylbut-3-enyl)benzene
CID 599502
4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol
CID 139983559
2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate
CID 162070646
1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 10176333

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene (CID 143231860) is 1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene is C=C(C)CCc1ccc(C(=C)C)cc1.
What is the InChIKey of 1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene?
The InChIKey is DDGSFBSNTQABHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-11(2)5-6-13-7-9-14(10-8-13)12(3)4/h7-10H,1,3,5-6H2,2,4H3.
What are the key properties of 1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene?
1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene has a molecular weight of 186.30 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 143231860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).