methane;1-methyl-3-propan-2-ylbenzene;prop-1-yne

C15H26 — CID 144521771

IUPACmethane;1-methyl-3-propan-2-ylbenzene;prop-1-yne
SMILESC.C.C#CC.Cc1cccc(C(C)C)c1
InChIInChI=1S/C10H14.C3H4.2CH4/c1-8(2)10-6-4-5-9(3)7-10;1-3-2;;/h4-8H,1-3H3;1H,2H3;2*1H4
InChIKeyYWUFNJPNGGDLTL-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.03
Rot. Bonds1

About methane;1-methyl-3-propan-2-ylbenzene;prop-1-yne

methane;1-methyl-3-propan-2-ylbenzene;prop-1-yne (PubChem CID 144521771) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is methane;1-methyl-3-propan-2-ylbenzene;prop-1-yne.

Molecular Properties

Compound Namemethane;1-methyl-3-propan-2-ylbenzene;prop-1-yne
PubChem CID144521771
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Namemethane;1-methyl-3-propan-2-ylbenzene;prop-1-yne
SMILESC.C.C#CC.Cc1cccc(C(C)C)c1
InChIInChI=1S/C10H14.C3H4.2CH4/c1-8(2)10-6-4-5-9(3)7-10;1-3-2;;/h4-8H,1-3H3;1H,2H3;2*1H4
InChIKeyYWUFNJPNGGDLTL-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.03
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-3-propan-2-ylbenzene
CID 142020139
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
ethane;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene)
CID 158672688
1-methyl-3-propan-2-ylbenzene;molecular hydrogen;toluene
CID 170971912
cumene;ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
CID 158230209
1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
CID 177243602
1-(1-bromoprop-2-ynyl)-3-methylbenzene
CID 174730915
1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene
CID 158783071
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene
CID 158801354
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-3-propan-2-ylbenzene;prop-1-yne?
The IUPAC name of methane;1-methyl-3-propan-2-ylbenzene;prop-1-yne (CID 144521771) is methane;1-methyl-3-propan-2-ylbenzene;prop-1-yne.
What is the SMILES notation for methane;1-methyl-3-propan-2-ylbenzene;prop-1-yne?
The canonical SMILES for methane;1-methyl-3-propan-2-ylbenzene;prop-1-yne is C.C.C#CC.Cc1cccc(C(C)C)c1.
What is the InChIKey of methane;1-methyl-3-propan-2-ylbenzene;prop-1-yne?
The InChIKey is YWUFNJPNGGDLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C3H4.2CH4/c1-8(2)10-6-4-5-9(3)7-10;1-3-2;;/h4-8H,1-3H3;1H,2H3;2*1H4.
What are the key properties of methane;1-methyl-3-propan-2-ylbenzene;prop-1-yne?
methane;1-methyl-3-propan-2-ylbenzene;prop-1-yne has a molecular weight of 206.37 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-3-propan-2-ylbenzene;prop-1-yne is sourced from PubChem (CID 144521771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).