hexakis(decane);ethylbenzene

C68H142 — CID 173398562

IUPAChexakis(decane);ethylbenzene
SMILESCCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCc1ccccc1
InChIInChI=1S/6C10H22.C8H10/c6*1-3-5-7-9-10-8-6-4-2;1-2-8-6-4-3-5-7-8/h6*3-10H2,1-2H3;3-7H,2H2,1H3
InChIKeyFAPPKQNKTUJSDT-UHFFFAOYSA-N
MW959.88 g/mol
LogP27.13
Rot. Bonds43

About hexakis(decane);ethylbenzene

hexakis(decane);ethylbenzene (PubChem CID 173398562) has the molecular formula C68H142 and a molecular weight of 959.88 g/mol. Its IUPAC name is hexakis(decane);ethylbenzene.

Molecular Properties

Compound Namehexakis(decane);ethylbenzene
PubChem CID173398562
Molecular FormulaC68H142
Molecular Weight959.88 g/mol
Exact Mass959.11
IUPAC Namehexakis(decane);ethylbenzene
SMILESCCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCc1ccccc1
InChIInChI=1S/6C10H22.C8H10/c6*1-3-5-7-9-10-8-6-4-2;1-2-8-6-4-3-5-7-8/h6*3-10H2,1-2H3;3-7H,2H2,1H3
InChIKeyFAPPKQNKTUJSDT-UHFFFAOYSA-N
XLogP27.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds43
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.88
LogP ≤ 527.13
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

magnesium;ethylbenzene;ethyne;heptane;bromide
CID 159805731
1,4-diethylbenzene;heptane
CID 175370860
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CID 90861705
2,3-dimethylbuta-1,3-diene;ethylbenzene;methane;octane
CID 145403273
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
ethylbenzene;molybdenum
CID 161189179
pentanonacontylbenzene
CID 165359347
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of hexakis(decane);ethylbenzene?
The IUPAC name of hexakis(decane);ethylbenzene (CID 173398562) is hexakis(decane);ethylbenzene.
What is the SMILES notation for hexakis(decane);ethylbenzene?
The canonical SMILES for hexakis(decane);ethylbenzene is CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCc1ccccc1.
What is the InChIKey of hexakis(decane);ethylbenzene?
The InChIKey is FAPPKQNKTUJSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/6C10H22.C8H10/c6*1-3-5-7-9-10-8-6-4-2;1-2-8-6-4-3-5-7-8/h6*3-10H2,1-2H3;3-7H,2H2,1H3.
What are the key properties of hexakis(decane);ethylbenzene?
hexakis(decane);ethylbenzene has a molecular weight of 959.88 g/mol, XLogP of 27.13, 43 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(decane);ethylbenzene is sourced from PubChem (CID 173398562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).