butane;pentane;propane

C15H38 — CID 153402705

IUPACbutane;pentane;propane
SMILESCCC.CCC.CCCC.CCCCC
InChIInChI=1S/C5H12.C4H10.2C3H8/c1-3-5-4-2;1-3-4-2;2*1-3-2/h3-5H2,1-2H3;3-4H2,1-2H3;2*3H2,1-2H3
InChIKeyCJLCPKWIPFGNBK-UHFFFAOYSA-N
MW218.47 g/mol
LogP6.84
Rot. Bonds3

About butane;pentane;propane

butane;pentane;propane (PubChem CID 153402705) has the molecular formula C15H38 and a molecular weight of 218.47 g/mol. Its IUPAC name is butane;pentane;propane.

Molecular Properties

Compound Namebutane;pentane;propane
PubChem CID153402705
Molecular FormulaC15H38
Molecular Weight218.47 g/mol
Exact Mass218.30
IUPAC Namebutane;pentane;propane
SMILESCCC.CCC.CCCC.CCCCC
InChIInChI=1S/C5H12.C4H10.2C3H8/c1-3-5-4-2;1-3-4-2;2*1-3-2/h3-5H2,1-2H3;3-4H2,1-2H3;2*3H2,1-2H3
InChIKeyCJLCPKWIPFGNBK-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.47
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 159536102
CID 159536102
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Frequently Asked Questions

What is the IUPAC name of butane;pentane;propane?
The IUPAC name of butane;pentane;propane (CID 153402705) is butane;pentane;propane.
What is the SMILES notation for butane;pentane;propane?
The canonical SMILES for butane;pentane;propane is CCC.CCC.CCCC.CCCCC.
What is the InChIKey of butane;pentane;propane?
The InChIKey is CJLCPKWIPFGNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H10.2C3H8/c1-3-5-4-2;1-3-4-2;2*1-3-2/h3-5H2,1-2H3;3-4H2,1-2H3;2*3H2,1-2H3.
What are the key properties of butane;pentane;propane?
butane;pentane;propane has a molecular weight of 218.47 g/mol, XLogP of 6.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;pentane;propane is sourced from PubChem (CID 153402705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).