ethane;methanol;1-methyl-3-(3-methylbutyl)benzene

C15H28O — CID 144705800

IUPACethane;methanol;1-methyl-3-(3-methylbutyl)benzene
SMILESCC.CO.Cc1cccc(CCC(C)C)c1
InChIInChI=1S/C12H18.C2H6.CH4O/c1-10(2)7-8-12-6-4-5-11(3)9-12;2*1-2/h4-6,9-10H,7-8H2,1-3H3;1-2H3;2H,1H3
InChIKeyQRZRLAQXVMJQRW-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.22
Rot. Bonds3

About ethane;methanol;1-methyl-3-(3-methylbutyl)benzene

ethane;methanol;1-methyl-3-(3-methylbutyl)benzene (PubChem CID 144705800) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;methanol;1-methyl-3-(3-methylbutyl)benzene.

Molecular Properties

Compound Nameethane;methanol;1-methyl-3-(3-methylbutyl)benzene
PubChem CID144705800
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Nameethane;methanol;1-methyl-3-(3-methylbutyl)benzene
SMILESCC.CO.Cc1cccc(CCC(C)C)c1
InChIInChI=1S/C12H18.C2H6.CH4O/c1-10(2)7-8-12-6-4-5-11(3)9-12;2*1-2/h4-6,9-10H,7-8H2,1-3H3;1-2H3;2H,1H3
InChIKeyQRZRLAQXVMJQRW-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(3-methylbutyl)benzene;ethane
CID 159024866
2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257
ethane;1-ethyl-3-(3-methylbutyl)benzene
CID 143683822
1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene
CID 155693186
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
1-methyl-3-(3-phenylbutyl)benzene
CID 173297999
N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62312844
(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
CID 114987003
1-(3-methylbutyl)-3-(2-phenylethyl)benzene
CID 170689671
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;1-methyl-3-(3-methylbutyl)benzene?
The IUPAC name of ethane;methanol;1-methyl-3-(3-methylbutyl)benzene (CID 144705800) is ethane;methanol;1-methyl-3-(3-methylbutyl)benzene.
What is the SMILES notation for ethane;methanol;1-methyl-3-(3-methylbutyl)benzene?
The canonical SMILES for ethane;methanol;1-methyl-3-(3-methylbutyl)benzene is CC.CO.Cc1cccc(CCC(C)C)c1.
What is the InChIKey of ethane;methanol;1-methyl-3-(3-methylbutyl)benzene?
The InChIKey is QRZRLAQXVMJQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C2H6.CH4O/c1-10(2)7-8-12-6-4-5-11(3)9-12;2*1-2/h4-6,9-10H,7-8H2,1-3H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;1-methyl-3-(3-methylbutyl)benzene?
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene has a molecular weight of 224.39 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;1-methyl-3-(3-methylbutyl)benzene is sourced from PubChem (CID 144705800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).