methane;1-methyl-4-prop-2-enylbenzene

C12H20 — CID 165001357

IUPACmethane;1-methyl-4-prop-2-enylbenzene
SMILESC.C.C=CCc1ccc(C)cc1
InChIInChI=1S/C10H12.2CH4/c1-3-4-10-7-5-9(2)6-8-10;;/h3,5-8H,1,4H2,2H3;2*1H4
InChIKeyIHILIDRXGYVTKQ-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.00
Rot. Bonds2

About methane;1-methyl-4-prop-2-enylbenzene

methane;1-methyl-4-prop-2-enylbenzene (PubChem CID 165001357) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is methane;1-methyl-4-prop-2-enylbenzene.

Molecular Properties

Compound Namemethane;1-methyl-4-prop-2-enylbenzene
PubChem CID165001357
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Namemethane;1-methyl-4-prop-2-enylbenzene
SMILESC.C.C=CCc1ccc(C)cc1
InChIInChI=1S/C10H12.2CH4/c1-3-4-10-7-5-9(2)6-8-10;;/h3,5-8H,1,4H2,2H3;2*1H4
InChIKeyIHILIDRXGYVTKQ-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-prop-2-enylbenzene?
The IUPAC name of methane;1-methyl-4-prop-2-enylbenzene (CID 165001357) is methane;1-methyl-4-prop-2-enylbenzene.
What is the SMILES notation for methane;1-methyl-4-prop-2-enylbenzene?
The canonical SMILES for methane;1-methyl-4-prop-2-enylbenzene is C.C.C=CCc1ccc(C)cc1.
What is the InChIKey of methane;1-methyl-4-prop-2-enylbenzene?
The InChIKey is IHILIDRXGYVTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.2CH4/c1-3-4-10-7-5-9(2)6-8-10;;/h3,5-8H,1,4H2,2H3;2*1H4.
What are the key properties of methane;1-methyl-4-prop-2-enylbenzene?
methane;1-methyl-4-prop-2-enylbenzene has a molecular weight of 164.29 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-prop-2-enylbenzene is sourced from PubChem (CID 165001357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).