ethane;2-methylheptylbenzene

C16H28 — CID 142204161

IUPACethane;2-methylheptylbenzene
SMILESCC.CCCCCC(C)Cc1ccccc1
InChIInChI=1S/C14H22.C2H6/c1-3-4-6-9-13(2)12-14-10-7-5-8-11-14;1-2/h5,7-8,10-11,13H,3-4,6,9,12H2,1-2H3;1-2H3
InChIKeyWUGQLXNCUMSFSI-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.47
Rot. Bonds6

About ethane;2-methylheptylbenzene

ethane;2-methylheptylbenzene (PubChem CID 142204161) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is ethane;2-methylheptylbenzene.

Molecular Properties

Compound Nameethane;2-methylheptylbenzene
PubChem CID142204161
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Nameethane;2-methylheptylbenzene
SMILESCC.CCCCCC(C)Cc1ccccc1
InChIInChI=1S/C14H22.C2H6/c1-3-4-6-9-13(2)12-14-10-7-5-8-11-14;1-2/h5,7-8,10-11,13H,3-4,6,9,12H2,1-2H3;1-2H3
InChIKeyWUGQLXNCUMSFSI-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
2,6,6-trimethylnonadecylbenzene
CID 57171875
2-benzyltetradecylbenzene
CID 22920205
(2S)-2,5-dimethyl-1-phenyldecan-4-one
CID 58389351
N,N-dimethyl-1-phenyltricosan-2-amine
CID 18949477
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
2-bromotridecylbenzene
CID 65427778
dichloro(1-phenylpentadecan-2-yl)silane
CID 173437721
dichloro(1-phenyltridecan-2-yl)silane
CID 173437797
benzyl-dimethyl-pentadecylphosphanium
CID 157445205
2-methyldecyl 2-benzyloctanoate
CID 138503923

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylheptylbenzene?
The IUPAC name of ethane;2-methylheptylbenzene (CID 142204161) is ethane;2-methylheptylbenzene.
What is the SMILES notation for ethane;2-methylheptylbenzene?
The canonical SMILES for ethane;2-methylheptylbenzene is CC.CCCCCC(C)Cc1ccccc1.
What is the InChIKey of ethane;2-methylheptylbenzene?
The InChIKey is WUGQLXNCUMSFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C2H6/c1-3-4-6-9-13(2)12-14-10-7-5-8-11-14;1-2/h5,7-8,10-11,13H,3-4,6,9,12H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methylheptylbenzene?
ethane;2-methylheptylbenzene has a molecular weight of 220.40 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylheptylbenzene is sourced from PubChem (CID 142204161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).