ethane;2-methylpropane;1-methyl-4-propylbenzene

C16H30 — CID 142174844

IUPACethane;2-methylpropane;1-methyl-4-propylbenzene
SMILESCC.CC(C)C.CCCc1ccc(C)cc1
InChIInChI=1S/C10H14.C4H10.C2H6/c1-3-4-10-7-5-9(2)6-8-10;1-4(2)3;1-2/h5-8H,3-4H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyVBKXASOBNFQBQX-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.64
Rot. Bonds2

About ethane;2-methylpropane;1-methyl-4-propylbenzene

ethane;2-methylpropane;1-methyl-4-propylbenzene (PubChem CID 142174844) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is ethane;2-methylpropane;1-methyl-4-propylbenzene.

Molecular Properties

Compound Nameethane;2-methylpropane;1-methyl-4-propylbenzene
PubChem CID142174844
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Nameethane;2-methylpropane;1-methyl-4-propylbenzene
SMILESCC.CC(C)C.CCCc1ccc(C)cc1
InChIInChI=1S/C10H14.C4H10.C2H6/c1-3-4-10-7-5-9(2)6-8-10;1-4(2)3;1-2/h5-8H,3-4H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyVBKXASOBNFQBQX-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butane;ethane;1-methyl-4-propylbenzene;propane
CID 142050311
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
1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene
CID 139753489
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
butane;1-ethyl-4-methylbenzene;methane;2-methylpropane
CID 160516837
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
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;1-methyl-4-propylbenzene?
The IUPAC name of ethane;2-methylpropane;1-methyl-4-propylbenzene (CID 142174844) is ethane;2-methylpropane;1-methyl-4-propylbenzene.
What is the SMILES notation for ethane;2-methylpropane;1-methyl-4-propylbenzene?
The canonical SMILES for ethane;2-methylpropane;1-methyl-4-propylbenzene is CC.CC(C)C.CCCc1ccc(C)cc1.
What is the InChIKey of ethane;2-methylpropane;1-methyl-4-propylbenzene?
The InChIKey is VBKXASOBNFQBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C4H10.C2H6/c1-3-4-10-7-5-9(2)6-8-10;1-4(2)3;1-2/h5-8H,3-4H2,1-2H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;2-methylpropane;1-methyl-4-propylbenzene?
ethane;2-methylpropane;1-methyl-4-propylbenzene has a molecular weight of 222.42 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;1-methyl-4-propylbenzene is sourced from PubChem (CID 142174844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).