methane;1-methyl-2-prop-2-enylbenzene

C11H16 — CID 174365033

IUPACmethane;1-methyl-2-prop-2-enylbenzene
SMILESC.C=CCc1ccccc1C
InChIInChI=1S/C10H12.CH4/c1-3-6-10-8-5-4-7-9(10)2;/h3-5,7-8H,1,6H2,2H3;1H4
InChIKeyYTDSSLHAXVQGJZ-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.36
Rot. Bonds2

About methane;1-methyl-2-prop-2-enylbenzene

methane;1-methyl-2-prop-2-enylbenzene (PubChem CID 174365033) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is methane;1-methyl-2-prop-2-enylbenzene.

Molecular Properties

Compound Namemethane;1-methyl-2-prop-2-enylbenzene
PubChem CID174365033
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Namemethane;1-methyl-2-prop-2-enylbenzene
SMILESC.C=CCc1ccccc1C
InChIInChI=1S/C10H12.CH4/c1-3-6-10-8-5-4-7-9(10)2;/h3-5,7-8H,1,6H2,2H3;1H4
InChIKeyYTDSSLHAXVQGJZ-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.36
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-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
1,2-dimethyl-3-prop-2-enylbenzene;hydrochloride
CID 175387525
1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene
CID 173365962
1-butyl-2-prop-2-enylbenzene
CID 18786435
1-prop-2-enyl-2-propylbenzene
CID 12585186
1-methyl-2-prop-2-enylbenzene;2-methyl-3-prop-2-enylbicyclo[4.1.0]hepta-2,4-diene
CID 143183933
2-butyl-1-methyl-3-prop-2-enylbenzene
CID 173148760
2-methoxy-1-methyl-3-prop-2-enylbenzene;propane
CID 143927425
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
trimethyl-(2-methyl-6-prop-2-enylphenoxy)silane
CID 19737589
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
2-prop-2-enylaniline
CID 3036592

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-2-prop-2-enylbenzene?
The IUPAC name of methane;1-methyl-2-prop-2-enylbenzene (CID 174365033) is methane;1-methyl-2-prop-2-enylbenzene.
What is the SMILES notation for methane;1-methyl-2-prop-2-enylbenzene?
The canonical SMILES for methane;1-methyl-2-prop-2-enylbenzene is C.C=CCc1ccccc1C.
What is the InChIKey of methane;1-methyl-2-prop-2-enylbenzene?
The InChIKey is YTDSSLHAXVQGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.CH4/c1-3-6-10-8-5-4-7-9(10)2;/h3-5,7-8H,1,6H2,2H3;1H4.
What are the key properties of methane;1-methyl-2-prop-2-enylbenzene?
methane;1-methyl-2-prop-2-enylbenzene has a molecular weight of 148.25 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-2-prop-2-enylbenzene is sourced from PubChem (CID 174365033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).