ethane;1-methyl-3-propan-2-ylbenzene

C12H20 — CID 142020139

IUPACethane;1-methyl-3-propan-2-ylbenzene
SMILESCC.Cc1cccc(C(C)C)c1
InChIInChI=1S/C10H14.C2H6/c1-8(2)10-6-4-5-9(3)7-10;1-2/h4-8H,1-3H3;1-2H3
InChIKeyBHIOMYIDECSCPK-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.14
Rot. Bonds1

About ethane;1-methyl-3-propan-2-ylbenzene

ethane;1-methyl-3-propan-2-ylbenzene (PubChem CID 142020139) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is ethane;1-methyl-3-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;1-methyl-3-propan-2-ylbenzene
PubChem CID142020139
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Nameethane;1-methyl-3-propan-2-ylbenzene
SMILESCC.Cc1cccc(C(C)C)c1
InChIInChI=1S/C10H14.C2H6/c1-8(2)10-6-4-5-9(3)7-10;1-2/h4-8H,1-3H3;1-2H3
InChIKeyBHIOMYIDECSCPK-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
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
methane;1-methyl-3-propan-2-ylbenzene;prop-1-yne
CID 144521771
1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
CID 177243602
[(1S)-1-(3-methylphenyl)ethyl]azanium chloride
CID 155931226
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
CID 142381961
CID 142381961

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-propan-2-ylbenzene?
The IUPAC name of ethane;1-methyl-3-propan-2-ylbenzene (CID 142020139) is ethane;1-methyl-3-propan-2-ylbenzene.
What is the SMILES notation for ethane;1-methyl-3-propan-2-ylbenzene?
The canonical SMILES for ethane;1-methyl-3-propan-2-ylbenzene is CC.Cc1cccc(C(C)C)c1.
What is the InChIKey of ethane;1-methyl-3-propan-2-ylbenzene?
The InChIKey is BHIOMYIDECSCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C2H6/c1-8(2)10-6-4-5-9(3)7-10;1-2/h4-8H,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-3-propan-2-ylbenzene?
ethane;1-methyl-3-propan-2-ylbenzene has a molecular weight of 164.29 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-propan-2-ylbenzene is sourced from PubChem (CID 142020139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).