ethane;pentane;propane

C18H48 — CID 154691570

IUPACethane;pentane;propane
SMILESCC.CC.CCC.CCC.CCC.CCCCC
InChIInChI=1S/C5H12.3C3H8.2C2H6/c1-3-5-4-2;3*1-3-2;2*1-2/h3-5H2,1-2H3;3*3H2,1-2H3;2*1-2H3
InChIKeyPFVVAULMNKRMCV-UHFFFAOYSA-N
MW264.58 g/mol
LogP8.50
Rot. Bonds2

About ethane;pentane;propane

ethane;pentane;propane (PubChem CID 154691570) has the molecular formula C18H48 and a molecular weight of 264.58 g/mol. Its IUPAC name is ethane;pentane;propane.

Molecular Properties

Compound Nameethane;pentane;propane
PubChem CID154691570
Molecular FormulaC18H48
Molecular Weight264.58 g/mol
Exact Mass264.38
IUPAC Nameethane;pentane;propane
SMILESCC.CC.CCC.CCC.CCC.CCCCC
InChIInChI=1S/C5H12.3C3H8.2C2H6/c1-3-5-4-2;3*1-3-2;2*1-2/h3-5H2,1-2H3;3*3H2,1-2H3;2*1-2H3
InChIKeyPFVVAULMNKRMCV-UHFFFAOYSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.58
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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hexane;pentane;propane
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ethane;heptane;pentane
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ethane;tris(heptane);propane
CID 158842848

Frequently Asked Questions

What is the IUPAC name of ethane;pentane;propane?
The IUPAC name of ethane;pentane;propane (CID 154691570) is ethane;pentane;propane.
What is the SMILES notation for ethane;pentane;propane?
The canonical SMILES for ethane;pentane;propane is CC.CC.CCC.CCC.CCC.CCCCC.
What is the InChIKey of ethane;pentane;propane?
The InChIKey is PFVVAULMNKRMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.3C3H8.2C2H6/c1-3-5-4-2;3*1-3-2;2*1-2/h3-5H2,1-2H3;3*3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;pentane;propane?
ethane;pentane;propane has a molecular weight of 264.58 g/mol, XLogP of 8.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentane;propane is sourced from PubChem (CID 154691570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).