benzene;ethane;propane;toluene

C33H70 — CID 161363335

IUPACbenzene;ethane;propane;toluene
SMILESCC.CC.CC.CC.CCC.CCC.CCC.CCC.Cc1ccccc1.c1ccccc1
InChIInChI=1S/C7H8.C6H6.4C3H8.4C2H6/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;4*1-3-2;4*1-2/h2-6H,1H3;1-6H;4*3H2,1-2H3;4*1-2H3
InChIKeyVPMDDALPVVAXKB-UHFFFAOYSA-N
MW466.92 g/mol
LogP13.45
Rot. Bonds

About benzene;ethane;propane;toluene

benzene;ethane;propane;toluene (PubChem CID 161363335) has the molecular formula C33H70 and a molecular weight of 466.92 g/mol. Its IUPAC name is benzene;ethane;propane;toluene.

Molecular Properties

Compound Namebenzene;ethane;propane;toluene
PubChem CID161363335
Molecular FormulaC33H70
Molecular Weight466.92 g/mol
Exact Mass466.55
IUPAC Namebenzene;ethane;propane;toluene
SMILESCC.CC.CC.CC.CCC.CCC.CCC.CCC.Cc1ccccc1.c1ccccc1
InChIInChI=1S/C7H8.C6H6.4C3H8.4C2H6/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;4*1-3-2;4*1-2/h2-6H,1H3;1-6H;4*3H2,1-2H3;4*1-2H3
InChIKeyVPMDDALPVVAXKB-UHFFFAOYSA-N
XLogP13.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.92
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;propane;toluene
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propane;toluene
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propane;toluene
CID 91263172
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CID 167564675
benzene;ethane;methoxymethane;propane;toluene
CID 91405943
ethane;naphthalene;propane;toluene
CID 91119516
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CID 159937735
benzene;ethane;toluene
CID 158929596
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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;propane;toluene?
The IUPAC name of benzene;ethane;propane;toluene (CID 161363335) is benzene;ethane;propane;toluene.
What is the SMILES notation for benzene;ethane;propane;toluene?
The canonical SMILES for benzene;ethane;propane;toluene is CC.CC.CC.CC.CCC.CCC.CCC.CCC.Cc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethane;propane;toluene?
The InChIKey is VPMDDALPVVAXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H6.4C3H8.4C2H6/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;4*1-3-2;4*1-2/h2-6H,1H3;1-6H;4*3H2,1-2H3;4*1-2H3.
What are the key properties of benzene;ethane;propane;toluene?
benzene;ethane;propane;toluene has a molecular weight of 466.92 g/mol, XLogP of 13.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;propane;toluene is sourced from PubChem (CID 161363335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).