ethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane

C48H90 — CID 161464946

IUPACethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane
SMILESCCC.CCC1CCCCC1.CCCC(C)C.CCCC1CCCCC1.CCCCC.CCCc1ccccc1.CCc1ccccc1
InChIInChI=1S/C9H18.C9H12.C8H16.C8H10.C6H14.C5H12.C3H8/c2*1-2-6-9-7-4-3-5-8-9;2*1-2-8-6-4-3-5-7-8;1-4-5-6(2)3;1-3-5-4-2;1-3-2/h9H,2-8H2,1H3;3-5,7-8H,2,6H2,1H3;8H,2-7H2,1H3;3-7H,2H2,1H3;6H,4-5H2,1-3H3;3-5H2,1-2H3;3H2,1-2H3
InChIKeyWCHMCFLOZQJPMC-UHFFFAOYSA-N
MW667.25 g/mol
LogP17.29
Rot. Bonds10

About ethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane

ethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane (PubChem CID 161464946) has the molecular formula C48H90 and a molecular weight of 667.25 g/mol. Its IUPAC name is ethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane.

Molecular Properties

Compound Nameethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane
PubChem CID161464946
Molecular FormulaC48H90
Molecular Weight667.25 g/mol
Exact Mass666.70
IUPAC Nameethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane
SMILESCCC.CCC1CCCCC1.CCCC(C)C.CCCC1CCCCC1.CCCCC.CCCc1ccccc1.CCc1ccccc1
InChIInChI=1S/C9H18.C9H12.C8H16.C8H10.C6H14.C5H12.C3H8/c2*1-2-6-9-7-4-3-5-8-9;2*1-2-8-6-4-3-5-7-8;1-4-5-6(2)3;1-3-5-4-2;1-3-2/h9H,2-8H2,1H3;3-5,7-8H,2,6H2,1H3;8H,2-7H2,1H3;3-7H,2H2,1H3;6H,4-5H2,1-3H3;3-5H2,1-2H3;3H2,1-2H3
InChIKeyWCHMCFLOZQJPMC-UHFFFAOYSA-N
XLogP17.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.25
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 167540027
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1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane
CID 160751145
2-phenylethylcyclooctane
CID 54073487
ethane;ethylbenzene;propylbenzene
CID 153343160
ethane;ethylbenzene;propylbenzene
CID 144852867
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
ethylbenzene;ethylcyclobutane;formic acid
CID 174407039
[6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene
CID 564248
(5-cyclohexyl-3-methoxypentyl)benzene
CID 143381268
(1-cyclohexyl-5-phenylpentan-3-yl)hydrazine
CID 105285878
1-cyclohexyl-N-methyl-6-phenylhexan-3-amine
CID 115849338

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane?
The IUPAC name of ethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane (CID 161464946) is ethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane.
What is the SMILES notation for ethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane?
The canonical SMILES for ethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane is CCC.CCC1CCCCC1.CCCC(C)C.CCCC1CCCCC1.CCCCC.CCCc1ccccc1.CCc1ccccc1.
What is the InChIKey of ethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane?
The InChIKey is WCHMCFLOZQJPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C9H12.C8H16.C8H10.C6H14.C5H12.C3H8/c2*1-2-6-9-7-4-3-5-8-9;2*1-2-8-6-4-3-5-7-8;1-4-5-6(2)3;1-3-5-4-2;1-3-2/h9H,2-8H2,1H3;3-5,7-8H,2,6H2,1H3;8H,2-7H2,1H3;3-7H,2H2,1H3;6H,4-5H2,1-3H3;3-5H2,1-2H3;3H2,1-2H3.
What are the key properties of ethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane?
ethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane has a molecular weight of 667.25 g/mol, XLogP of 17.29, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane is sourced from PubChem (CID 161464946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).