ethane;1-ethyl-3-(3-methylbutyl)benzene

C15H26 — CID 143683822

IUPACethane;1-ethyl-3-(3-methylbutyl)benzene
SMILESCC.CCc1cccc(CCC(C)C)c1
InChIInChI=1S/C13H20.C2H6/c1-4-12-6-5-7-13(10-12)9-8-11(2)3;1-2/h5-7,10-11H,4,8-9H2,1-3H3;1-2H3
InChIKeyOWLIXRZCMWIRFP-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.86
Rot. Bonds4

About ethane;1-ethyl-3-(3-methylbutyl)benzene

ethane;1-ethyl-3-(3-methylbutyl)benzene (PubChem CID 143683822) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is ethane;1-ethyl-3-(3-methylbutyl)benzene.

Molecular Properties

Compound Nameethane;1-ethyl-3-(3-methylbutyl)benzene
PubChem CID143683822
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Nameethane;1-ethyl-3-(3-methylbutyl)benzene
SMILESCC.CCc1cccc(CCC(C)C)c1
InChIInChI=1S/C13H20.C2H6/c1-4-12-6-5-7-13(10-12)9-8-11(2)3;1-2/h5-7,10-11H,4,8-9H2,1-3H3;1-2H3
InChIKeyOWLIXRZCMWIRFP-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-bis(3-methylbutyl)benzene;ethane
CID 159024866
1-(3-methylbutyl)-3-(2-phenylethyl)benzene
CID 170689671
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene
CID 158814859
ethane;1-ethyl-3-(2-methylpropyl)benzene;molecular hydrogen
CID 142978471
1-(3-methylbutyl)-3-phenylbenzene
CID 21063782
ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307264
1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen
CID 142077285
N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine
CID 59900479
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307265
ethene;3-methylbutylbenzene
CID 145421013

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-(3-methylbutyl)benzene?
The IUPAC name of ethane;1-ethyl-3-(3-methylbutyl)benzene (CID 143683822) is ethane;1-ethyl-3-(3-methylbutyl)benzene.
What is the SMILES notation for ethane;1-ethyl-3-(3-methylbutyl)benzene?
The canonical SMILES for ethane;1-ethyl-3-(3-methylbutyl)benzene is CC.CCc1cccc(CCC(C)C)c1.
What is the InChIKey of ethane;1-ethyl-3-(3-methylbutyl)benzene?
The InChIKey is OWLIXRZCMWIRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C2H6/c1-4-12-6-5-7-13(10-12)9-8-11(2)3;1-2/h5-7,10-11H,4,8-9H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-3-(3-methylbutyl)benzene?
ethane;1-ethyl-3-(3-methylbutyl)benzene has a molecular weight of 206.37 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-(3-methylbutyl)benzene is sourced from PubChem (CID 143683822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).