ethane;(2-ethyl-3-methylbutyl)benzene

C15H26 — CID 166139706

IUPACethane;(2-ethyl-3-methylbutyl)benzene
SMILESCC.CCC(Cc1ccccc1)C(C)C
InChIInChI=1S/C13H20.C2H6/c1-4-13(11(2)3)10-12-8-6-5-7-9-12;1-2/h5-9,11,13H,4,10H2,1-3H3;1-2H3
InChIKeySOZIMBWESPKQSA-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.94
Rot. Bonds4

About ethane;(2-ethyl-3-methylbutyl)benzene

ethane;(2-ethyl-3-methylbutyl)benzene (PubChem CID 166139706) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is ethane;(2-ethyl-3-methylbutyl)benzene.

Molecular Properties

Compound Nameethane;(2-ethyl-3-methylbutyl)benzene
PubChem CID166139706
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Nameethane;(2-ethyl-3-methylbutyl)benzene
SMILESCC.CCC(Cc1ccccc1)C(C)C
InChIInChI=1S/C13H20.C2H6/c1-4-13(11(2)3)10-12-8-6-5-7-9-12;1-2/h5-9,11,13H,4,10H2,1-3H3;1-2H3
InChIKeySOZIMBWESPKQSA-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229
(2-benzyl-3-methylbutyl)benzene
CID 22277918
4-benzyl-2-methylhexan-3-amine
CID 79299139
(2S,3S)-3-benzylpentan-2-amine
CID 93427085
2-benzyl-3-methylbutan-1-amine
CID 59900587
(4-methyl-2-propan-2-ylpentyl)benzene
CID 59105661
4-benzylhexan-3-amine
CID 79307662
[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene
CID 58977165
(2R)-2-benzyl-3-methylpentan-1-ol
CID 15214035
ethane;2-methylpropylbenzene
CID 162200929
(2-ethyl-3-methylbutoxy)methylbenzene
CID 90754542
2,3-dimethylbutylbenzene
CID 12054035

Frequently Asked Questions

What is the IUPAC name of ethane;(2-ethyl-3-methylbutyl)benzene?
The IUPAC name of ethane;(2-ethyl-3-methylbutyl)benzene (CID 166139706) is ethane;(2-ethyl-3-methylbutyl)benzene.
What is the SMILES notation for ethane;(2-ethyl-3-methylbutyl)benzene?
The canonical SMILES for ethane;(2-ethyl-3-methylbutyl)benzene is CC.CCC(Cc1ccccc1)C(C)C.
What is the InChIKey of ethane;(2-ethyl-3-methylbutyl)benzene?
The InChIKey is SOZIMBWESPKQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C2H6/c1-4-13(11(2)3)10-12-8-6-5-7-9-12;1-2/h5-9,11,13H,4,10H2,1-3H3;1-2H3.
What are the key properties of ethane;(2-ethyl-3-methylbutyl)benzene?
ethane;(2-ethyl-3-methylbutyl)benzene has a molecular weight of 206.37 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-ethyl-3-methylbutyl)benzene is sourced from PubChem (CID 166139706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).