ethane;2-methylpentane;pentane;propane

C16H40 — CID 142044971

IUPACethane;2-methylpentane;pentane;propane
SMILESCC.CCC.CCCC(C)C.CCCCC
InChIInChI=1S/C6H14.C5H12.C3H8.C2H6/c1-4-5-6(2)3;1-3-5-4-2;1-3-2;1-2/h6H,4-5H2,1-3H3;3-5H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyFQYMDIWRJFABJU-UHFFFAOYSA-N
MW232.50 g/mol
LogP7.08
Rot. Bonds4

About ethane;2-methylpentane;pentane;propane

ethane;2-methylpentane;pentane;propane (PubChem CID 142044971) has the molecular formula C16H40 and a molecular weight of 232.50 g/mol. Its IUPAC name is ethane;2-methylpentane;pentane;propane.

Molecular Properties

Compound Nameethane;2-methylpentane;pentane;propane
PubChem CID142044971
Molecular FormulaC16H40
Molecular Weight232.50 g/mol
Exact Mass232.31
IUPAC Nameethane;2-methylpentane;pentane;propane
SMILESCC.CCC.CCCC(C)C.CCCCC
InChIInChI=1S/C6H14.C5H12.C3H8.C2H6/c1-4-5-6(2)3;1-3-5-4-2;1-3-2;1-2/h6H,4-5H2,1-3H3;3-5H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyFQYMDIWRJFABJU-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.50
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpentane;pentane;propane?
The IUPAC name of ethane;2-methylpentane;pentane;propane (CID 142044971) is ethane;2-methylpentane;pentane;propane.
What is the SMILES notation for ethane;2-methylpentane;pentane;propane?
The canonical SMILES for ethane;2-methylpentane;pentane;propane is CC.CCC.CCCC(C)C.CCCCC.
What is the InChIKey of ethane;2-methylpentane;pentane;propane?
The InChIKey is FQYMDIWRJFABJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C5H12.C3H8.C2H6/c1-4-5-6(2)3;1-3-5-4-2;1-3-2;1-2/h6H,4-5H2,1-3H3;3-5H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methylpentane;pentane;propane?
ethane;2-methylpentane;pentane;propane has a molecular weight of 232.50 g/mol, XLogP of 7.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpentane;pentane;propane is sourced from PubChem (CID 142044971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).