methane;1-methyl-4-prop-1-ynylbenzene

C12H18 — CID 143373241

IUPACmethane;1-methyl-4-prop-1-ynylbenzene
SMILESC.C.CC#Cc1ccc(C)cc1
InChIInChI=1S/C10H10.2CH4/c1-3-4-10-7-5-9(2)6-8-10;;/h5-8H,1-2H3;2*1H4
InChIKeyCFNXSTGCMWYODU-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.64
Rot. Bonds

About methane;1-methyl-4-prop-1-ynylbenzene

methane;1-methyl-4-prop-1-ynylbenzene (PubChem CID 143373241) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is methane;1-methyl-4-prop-1-ynylbenzene.

Molecular Properties

Compound Namemethane;1-methyl-4-prop-1-ynylbenzene
PubChem CID143373241
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Namemethane;1-methyl-4-prop-1-ynylbenzene
SMILESC.C.CC#Cc1ccc(C)cc1
InChIInChI=1S/C10H10.2CH4/c1-3-4-10-7-5-9(2)6-8-10;;/h5-8H,1-2H3;2*1H4
InChIKeyCFNXSTGCMWYODU-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-4-prop-1-ynylbenzene
CID 91181270
1,4-bis(prop-1-ynyl)benzene;but-2-yne;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-prop-1-ynylbenzene);bis(1-methyl-4-(4-prop-1-ynylphenyl)benzene);1,4-xylene
CID 159451604
hexa-2,4-diyne;1-methyl-4-prop-1-ynylbenzene
CID 157266886
1,3-dimethyl-5-[2-(4-methylphenyl)ethynyl]benzene
CID 15317762
carbanide;methane;1-methyl-4-(2-phenylethynyl)benzene;1-methyl-4-prop-1-ynylbenzene;1-prop-1-ynyl-4-prop-1-ynylbenzene;tris(yttrium)
CID 160763200
1-methyl-4-[6-(4-methylphenyl)hexa-1,3,5-triynyl]benzene
CID 58986470
1-methyl-4-(3-methylbut-1-ynyl)benzene
CID 12861406
prop-1-yne;prop-1-ynylbenzene;toluene
CID 91009204
2-(4-methylphenyl)ethyneselenolate
CID 12921639
1-methyl-4-[2-[2-(4-methylphenyl)ethynylsulfanyl]ethynyl]benzene
CID 71614566
1-bromo-4-(4-prop-1-ynylphenyl)benzene
CID 19013796
methane;pentakis(1,4-xylene)
CID 160760083

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-prop-1-ynylbenzene?
The IUPAC name of methane;1-methyl-4-prop-1-ynylbenzene (CID 143373241) is methane;1-methyl-4-prop-1-ynylbenzene.
What is the SMILES notation for methane;1-methyl-4-prop-1-ynylbenzene?
The canonical SMILES for methane;1-methyl-4-prop-1-ynylbenzene is C.C.CC#Cc1ccc(C)cc1.
What is the InChIKey of methane;1-methyl-4-prop-1-ynylbenzene?
The InChIKey is CFNXSTGCMWYODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.2CH4/c1-3-4-10-7-5-9(2)6-8-10;;/h5-8H,1-2H3;2*1H4.
What are the key properties of methane;1-methyl-4-prop-1-ynylbenzene?
methane;1-methyl-4-prop-1-ynylbenzene has a molecular weight of 162.28 g/mol, XLogP of 3.64, 0 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-1-ynylbenzene is sourced from PubChem (CID 143373241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).