2-butyl-1-methyl-3-prop-2-enylbenzene

C14H20 — CID 173148760

IUPAC2-butyl-1-methyl-3-prop-2-enylbenzene
SMILESC=CCc1cccc(C)c1CCCC
InChIInChI=1S/C14H20/c1-4-6-11-14-12(3)9-7-10-13(14)8-5-2/h5,7,9-10H,2,4,6,8,11H2,1,3H3
InChIKeyCVQWEDJXIKRUBQ-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.07
Rot. Bonds5

About 2-butyl-1-methyl-3-prop-2-enylbenzene

2-butyl-1-methyl-3-prop-2-enylbenzene (PubChem CID 173148760) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-butyl-1-methyl-3-prop-2-enylbenzene.

Molecular Properties

Compound Name2-butyl-1-methyl-3-prop-2-enylbenzene
PubChem CID173148760
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name2-butyl-1-methyl-3-prop-2-enylbenzene
SMILESC=CCc1cccc(C)c1CCCC
InChIInChI=1S/C14H20/c1-4-6-11-14-12(3)9-7-10-13(14)8-5-2/h5,7,9-10H,2,4,6,8,11H2,1,3H3
InChIKeyCVQWEDJXIKRUBQ-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.07
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

1-butyl-2-prop-2-enylbenzene
CID 18786435
1,2-dihexyl-3-methylbenzene
CID 15920121
3-prop-2-enyl-2-propylphenol
CID 139705767
1-but-3-enyl-2,3-dibutylbenzene
CID 140596669
1-butyl-2-ethenyl-3-methylbenzene
CID 154145018
1,2-dimethyl-3-prop-2-enylbenzene;hydrochloride
CID 175387525
1-prop-2-enyl-2-propylbenzene
CID 12585186
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033
1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
(2-butyl-6-methylphenyl)methanamine
CID 163670855
2-methoxy-1-methyl-3-prop-2-enylbenzene;propane
CID 143927425
1,2,3-tributylbenzene;hydrate
CID 172716323

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methyl-3-prop-2-enylbenzene?
The IUPAC name of 2-butyl-1-methyl-3-prop-2-enylbenzene (CID 173148760) is 2-butyl-1-methyl-3-prop-2-enylbenzene.
What is the SMILES notation for 2-butyl-1-methyl-3-prop-2-enylbenzene?
The canonical SMILES for 2-butyl-1-methyl-3-prop-2-enylbenzene is C=CCc1cccc(C)c1CCCC.
What is the InChIKey of 2-butyl-1-methyl-3-prop-2-enylbenzene?
The InChIKey is CVQWEDJXIKRUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-4-6-11-14-12(3)9-7-10-13(14)8-5-2/h5,7,9-10H,2,4,6,8,11H2,1,3H3.
What are the key properties of 2-butyl-1-methyl-3-prop-2-enylbenzene?
2-butyl-1-methyl-3-prop-2-enylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methyl-3-prop-2-enylbenzene is sourced from PubChem (CID 173148760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).