ethane;methane;2-methylpropane

C23H68 — CID 161431647

IUPACethane;methane;2-methylpropane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C
InChIInChI=1S/C4H10.9C2H6.CH4/c1-4(2)3;9*1-2;/h4H,1-3H3;9*1-2H3;1H4
InChIKeyVYCAXOYUYIYSDV-UHFFFAOYSA-N
MW344.80 g/mol
LogP11.53
Rot. Bonds

About ethane;methane;2-methylpropane

ethane;methane;2-methylpropane (PubChem CID 161431647) has the molecular formula C23H68 and a molecular weight of 344.80 g/mol. Its IUPAC name is ethane;methane;2-methylpropane.

Molecular Properties

Compound Nameethane;methane;2-methylpropane
PubChem CID161431647
Molecular FormulaC23H68
Molecular Weight344.80 g/mol
Exact Mass344.53
IUPAC Nameethane;methane;2-methylpropane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C
InChIInChI=1S/C4H10.9C2H6.CH4/c1-4(2)3;9*1-2;/h4H,1-3H3;9*1-2H3;1H4
InChIKeyVYCAXOYUYIYSDV-UHFFFAOYSA-N
XLogP11.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.80
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;methane;bis(2-methylpropane)
CID 142279596
ethane;methane;bis(2-methylpropane)
CID 169426228
ethane;tetrakis(2-methylpropane)
CID 160890290
2-methyl(213C)propane
CID 11240418
cyclobutane;ethane;methane;bis(2-methylpropane)
CID 159966273
carbanide;methane;2-methylpropane;tris(yttrium)
CID 160679294
ethane;ethene;methane;2-methylpropane;propane
CID 159536965
helium;2-methylpropane
CID 55222024
bis(2-methylpropane);dihydrochloride
CID 174914375
CID 171375193
CID 171375193
2-methylpropane;stibane
CID 173183868
azane;ethane;methane;palladium
CID 160991870

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methylpropane?
The IUPAC name of ethane;methane;2-methylpropane (CID 161431647) is ethane;methane;2-methylpropane.
What is the SMILES notation for ethane;methane;2-methylpropane?
The canonical SMILES for ethane;methane;2-methylpropane is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.
What is the InChIKey of ethane;methane;2-methylpropane?
The InChIKey is VYCAXOYUYIYSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.9C2H6.CH4/c1-4(2)3;9*1-2;/h4H,1-3H3;9*1-2H3;1H4.
What are the key properties of ethane;methane;2-methylpropane?
ethane;methane;2-methylpropane has a molecular weight of 344.80 g/mol, XLogP of 11.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methylpropane is sourced from PubChem (CID 161431647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).