ethane;methane;2-methylbutane;propane

C29H82 — CID 162144061

IUPACethane;methane;2-methylbutane;propane
SMILESC.C.C.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC(C)C
InChIInChI=1S/C5H12.5C3H8.3C2H6.3CH4/c1-4-5(2)3;5*1-3-2;3*1-2;;;/h5H,4H2,1-3H3;5*3H2,1-2H3;3*1-2H3;3*1H4
InChIKeyZKHUNVLOYIOVAJ-UHFFFAOYSA-N
MW430.98 g/mol
LogP14.12
Rot. Bonds1

About ethane;methane;2-methylbutane;propane

ethane;methane;2-methylbutane;propane (PubChem CID 162144061) has the molecular formula C29H82 and a molecular weight of 430.98 g/mol. Its IUPAC name is ethane;methane;2-methylbutane;propane.

Molecular Properties

Compound Nameethane;methane;2-methylbutane;propane
PubChem CID162144061
Molecular FormulaC29H82
Molecular Weight430.98 g/mol
Exact Mass430.64
IUPAC Nameethane;methane;2-methylbutane;propane
SMILESC.C.C.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC(C)C
InChIInChI=1S/C5H12.5C3H8.3C2H6.3CH4/c1-4-5(2)3;5*1-3-2;3*1-2;;;/h5H,4H2,1-3H3;5*3H2,1-2H3;3*1-2H3;3*1H4
InChIKeyZKHUNVLOYIOVAJ-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.98
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 164983427
CID 164983427
2-methylbutane
CID 159175971
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ethane;2-methylpropane;propane
CID 144940074

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methylbutane;propane?
The IUPAC name of ethane;methane;2-methylbutane;propane (CID 162144061) is ethane;methane;2-methylbutane;propane.
What is the SMILES notation for ethane;methane;2-methylbutane;propane?
The canonical SMILES for ethane;methane;2-methylbutane;propane is C.C.C.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC(C)C.
What is the InChIKey of ethane;methane;2-methylbutane;propane?
The InChIKey is ZKHUNVLOYIOVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.5C3H8.3C2H6.3CH4/c1-4-5(2)3;5*1-3-2;3*1-2;;;/h5H,4H2,1-3H3;5*3H2,1-2H3;3*1-2H3;3*1H4.
What are the key properties of ethane;methane;2-methylbutane;propane?
ethane;methane;2-methylbutane;propane has a molecular weight of 430.98 g/mol, XLogP of 14.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methylbutane;propane is sourced from PubChem (CID 162144061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).