butane;ethane;1-methyl-4-propylbenzene;propane

C31H72 — CID 142050311

IUPACbutane;ethane;1-methyl-4-propylbenzene;propane
SMILESCC.CC.CC.CC.CC.CCC.CCCC.CCCC.CCCc1ccc(C)cc1
InChIInChI=1S/C10H14.2C4H10.C3H8.5C2H6/c1-3-4-10-7-5-9(2)6-8-10;2*1-3-4-2;1-3-2;5*1-2/h5-8H,3-4H2,1-2H3;2*3-4H2,1-2H3;3H2,1-2H3;5*1-2H3
InChIKeyYKXRLXNIDRCOOB-UHFFFAOYSA-N
MW444.92 g/mol
LogP13.11
Rot. Bonds4

About butane;ethane;1-methyl-4-propylbenzene;propane

butane;ethane;1-methyl-4-propylbenzene;propane (PubChem CID 142050311) has the molecular formula C31H72 and a molecular weight of 444.92 g/mol. Its IUPAC name is butane;ethane;1-methyl-4-propylbenzene;propane.

Molecular Properties

Compound Namebutane;ethane;1-methyl-4-propylbenzene;propane
PubChem CID142050311
Molecular FormulaC31H72
Molecular Weight444.92 g/mol
Exact Mass444.56
IUPAC Namebutane;ethane;1-methyl-4-propylbenzene;propane
SMILESCC.CC.CC.CC.CC.CCC.CCCC.CCCC.CCCc1ccc(C)cc1
InChIInChI=1S/C10H14.2C4H10.C3H8.5C2H6/c1-3-4-10-7-5-9(2)6-8-10;2*1-3-4-2;1-3-2;5*1-2/h5-8H,3-4H2,1-2H3;2*3-4H2,1-2H3;3H2,1-2H3;5*1-2H3
InChIKeyYKXRLXNIDRCOOB-UHFFFAOYSA-N
XLogP13.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
ethane;formamide;1-methyl-4-propylbenzene
CID 143471754
1-methyl-4-propylbenzene;trifluoroalumane
CID 174704537
butane;methane;propane;propylbenzene;toluene
CID 160913723
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
ethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane
CID 143083964
1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene
CID 159106327
1-methyl-4-[2-[4-[2-(4-propylphenyl)ethyl]phenyl]ethynyl]benzene
CID 139767054
1,4-diethylbenzene;bis(1-ethyl-4-methylbenzene);1-ethyl-4-propylbenzene;bis(1-methyl-4-pentylbenzene);1,4-xylene
CID 165022765

Frequently Asked Questions

What is the IUPAC name of butane;ethane;1-methyl-4-propylbenzene;propane?
The IUPAC name of butane;ethane;1-methyl-4-propylbenzene;propane (CID 142050311) is butane;ethane;1-methyl-4-propylbenzene;propane.
What is the SMILES notation for butane;ethane;1-methyl-4-propylbenzene;propane?
The canonical SMILES for butane;ethane;1-methyl-4-propylbenzene;propane is CC.CC.CC.CC.CC.CCC.CCCC.CCCC.CCCc1ccc(C)cc1.
What is the InChIKey of butane;ethane;1-methyl-4-propylbenzene;propane?
The InChIKey is YKXRLXNIDRCOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.2C4H10.C3H8.5C2H6/c1-3-4-10-7-5-9(2)6-8-10;2*1-3-4-2;1-3-2;5*1-2/h5-8H,3-4H2,1-2H3;2*3-4H2,1-2H3;3H2,1-2H3;5*1-2H3.
What are the key properties of butane;ethane;1-methyl-4-propylbenzene;propane?
butane;ethane;1-methyl-4-propylbenzene;propane has a molecular weight of 444.92 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;1-methyl-4-propylbenzene;propane is sourced from PubChem (CID 142050311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).