ethane;methane;bis(2-methylpropane)

C14H40 — CID 169426228

IUPACethane;methane;bis(2-methylpropane)
SMILESC.C.CC.CC.CC(C)C.CC(C)C
InChIInChI=1S/2C4H10.2C2H6.2CH4/c2*1-4(2)3;2*1-2;;/h2*4H,1-3H3;2*1-2H3;2*1H4
InChIKeyIQFLARIJDPEMQA-UHFFFAOYSA-N
MW208.47 g/mol
LogP6.65
Rot. Bonds

About ethane;methane;bis(2-methylpropane)

ethane;methane;bis(2-methylpropane) (PubChem CID 169426228) has the molecular formula C14H40 and a molecular weight of 208.47 g/mol. Its IUPAC name is ethane;methane;bis(2-methylpropane).

Molecular Properties

Compound Nameethane;methane;bis(2-methylpropane)
PubChem CID169426228
Molecular FormulaC14H40
Molecular Weight208.47 g/mol
Exact Mass208.31
IUPAC Nameethane;methane;bis(2-methylpropane)
SMILESC.C.CC.CC.CC(C)C.CC(C)C
InChIInChI=1S/2C4H10.2C2H6.2CH4/c2*1-4(2)3;2*1-2;;/h2*4H,1-3H3;2*1-2H3;2*1H4
InChIKeyIQFLARIJDPEMQA-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.47
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;methane;bis(2-methylpropane)
CID 142279596
ethane;methane;2-methylpropane
CID 161431647
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;bis(2-methylpropane)?
The IUPAC name of ethane;methane;bis(2-methylpropane) (CID 169426228) is ethane;methane;bis(2-methylpropane).
What is the SMILES notation for ethane;methane;bis(2-methylpropane)?
The canonical SMILES for ethane;methane;bis(2-methylpropane) is C.C.CC.CC.CC(C)C.CC(C)C.
What is the InChIKey of ethane;methane;bis(2-methylpropane)?
The InChIKey is IQFLARIJDPEMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10.2C2H6.2CH4/c2*1-4(2)3;2*1-2;;/h2*4H,1-3H3;2*1-2H3;2*1H4.
What are the key properties of ethane;methane;bis(2-methylpropane)?
ethane;methane;bis(2-methylpropane) has a molecular weight of 208.47 g/mol, XLogP of 6.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;bis(2-methylpropane) is sourced from PubChem (CID 169426228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).