ethene;pentane;propane

C13H32 — CID 145405688

IUPACethene;pentane;propane
SMILESC=C.CCC.CCC.CCCCC
InChIInChI=1S/C5H12.2C3H8.C2H4/c1-3-5-4-2;2*1-3-2;1-2/h3-5H2,1-2H3;2*3H2,1-2H3;1-2H2
InChIKeyACHCJZKZJZAVLR-UHFFFAOYSA-N
MW188.40 g/mol
LogP5.83
Rot. Bonds2

About ethene;pentane;propane

ethene;pentane;propane (PubChem CID 145405688) has the molecular formula C13H32 and a molecular weight of 188.40 g/mol. Its IUPAC name is ethene;pentane;propane.

Molecular Properties

Compound Nameethene;pentane;propane
PubChem CID145405688
Molecular FormulaC13H32
Molecular Weight188.40 g/mol
Exact Mass188.25
IUPAC Nameethene;pentane;propane
SMILESC=C.CCC.CCC.CCCCC
InChIInChI=1S/C5H12.2C3H8.C2H4/c1-3-5-4-2;2*1-3-2;1-2/h3-5H2,1-2H3;2*3H2,1-2H3;1-2H2
InChIKeyACHCJZKZJZAVLR-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500188.40
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethene;pentane
CID 54525676
pentane;propane
CID 91422342
methane;pentane;propane
CID 169428492
methane;pentane;propane
CID 159978864
ethane;pentane;propane
CID 154691570
butane;pentane;propane
CID 153402705
methane;pentane;propane
CID 143342797
hexane;pentane;propane
CID 165146348
ethene;undecane
CID 161157037
CID 159411255
CID 159411255
pentane;stannane
CID 173279416
CID 157215984
CID 157215984

Frequently Asked Questions

What is the IUPAC name of ethene;pentane;propane?
The IUPAC name of ethene;pentane;propane (CID 145405688) is ethene;pentane;propane.
What is the SMILES notation for ethene;pentane;propane?
The canonical SMILES for ethene;pentane;propane is C=C.CCC.CCC.CCCCC.
What is the InChIKey of ethene;pentane;propane?
The InChIKey is ACHCJZKZJZAVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.2C3H8.C2H4/c1-3-5-4-2;2*1-3-2;1-2/h3-5H2,1-2H3;2*3H2,1-2H3;1-2H2.
What are the key properties of ethene;pentane;propane?
ethene;pentane;propane has a molecular weight of 188.40 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;pentane;propane is sourced from PubChem (CID 145405688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).