butane;methane;propane;propylbenzene;toluene

C53H96 — CID 160913723

IUPACbutane;methane;propane;propylbenzene;toluene
SMILESC.CCC.CCC.CCC.CCC.CCCC.CCCC.CCCc1ccccc1.CCCc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/2C9H12.2C7H8.2C4H10.4C3H8.CH4/c2*1-2-6-9-7-4-3-5-8-9;2*1-7-5-3-2-4-6-7;2*1-3-4-2;4*1-3-2;/h2*3-5,7-8H,2,6H2,1H3;2*2-6H,1H3;2*3-4H2,1-2H3;4*3H2,1-2H3;1H4
InChIKeySRCYCHOJGVMQHT-UHFFFAOYSA-N
MW733.35 g/mol
LogP19.18
Rot. Bonds6

About butane;methane;propane;propylbenzene;toluene

butane;methane;propane;propylbenzene;toluene (PubChem CID 160913723) has the molecular formula C53H96 and a molecular weight of 733.35 g/mol. Its IUPAC name is butane;methane;propane;propylbenzene;toluene.

Molecular Properties

Compound Namebutane;methane;propane;propylbenzene;toluene
PubChem CID160913723
Molecular FormulaC53H96
Molecular Weight733.35 g/mol
Exact Mass732.75
IUPAC Namebutane;methane;propane;propylbenzene;toluene
SMILESC.CCC.CCC.CCC.CCC.CCCC.CCCC.CCCc1ccccc1.CCCc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/2C9H12.2C7H8.2C4H10.4C3H8.CH4/c2*1-2-6-9-7-4-3-5-8-9;2*1-7-5-3-2-4-6-7;2*1-3-4-2;4*1-3-2;/h2*3-5,7-8H,2,6H2,1H3;2*2-6H,1H3;2*3-4H2,1-2H3;4*3H2,1-2H3;1H4
InChIKeySRCYCHOJGVMQHT-UHFFFAOYSA-N
XLogP19.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.35
LogP ≤ 519.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butane;methane;propane;propylbenzene;toluene?
The IUPAC name of butane;methane;propane;propylbenzene;toluene (CID 160913723) is butane;methane;propane;propylbenzene;toluene.
What is the SMILES notation for butane;methane;propane;propylbenzene;toluene?
The canonical SMILES for butane;methane;propane;propylbenzene;toluene is C.CCC.CCC.CCC.CCC.CCCC.CCCC.CCCc1ccccc1.CCCc1ccccc1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of butane;methane;propane;propylbenzene;toluene?
The InChIKey is SRCYCHOJGVMQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12.2C7H8.2C4H10.4C3H8.CH4/c2*1-2-6-9-7-4-3-5-8-9;2*1-7-5-3-2-4-6-7;2*1-3-4-2;4*1-3-2;/h2*3-5,7-8H,2,6H2,1H3;2*2-6H,1H3;2*3-4H2,1-2H3;4*3H2,1-2H3;1H4.
What are the key properties of butane;methane;propane;propylbenzene;toluene?
butane;methane;propane;propylbenzene;toluene has a molecular weight of 733.35 g/mol, XLogP of 19.18, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methane;propane;propylbenzene;toluene is sourced from PubChem (CID 160913723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).