ethene;pentane

C9H20 — CID 54525676

IUPACethene;pentane
SMILESC=C.C=C.CCCCC
InChIInChI=1S/C5H12.2C2H4/c1-3-5-4-2;2*1-2/h3-5H2,1-2H3;2*1-2H2
InChIKeyYSYFRRHZEWWNER-UHFFFAOYSA-N
MW128.26 g/mol
LogP3.80
Rot. Bonds2

About ethene;pentane

ethene;pentane (PubChem CID 54525676) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is ethene;pentane.

Molecular Properties

Compound Nameethene;pentane
PubChem CID54525676
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Nameethene;pentane
SMILESC=C.C=C.CCCCC
InChIInChI=1S/C5H12.2C2H4/c1-3-5-4-2;2*1-2/h3-5H2,1-2H3;2*1-2H2
InChIKeyYSYFRRHZEWWNER-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.80
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

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ethene;undecane
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CID 159411255
CID 159411255
pentane;propane
CID 91422342
zinc pentane
CID 19065630
pentane;rhodium
CID 173105348
pentane;stannane
CID 173279416
CID 157215984
CID 157215984
ethane;methanethione;pentane
CID 142864523
ethane;pentane;propane
CID 154691570

Frequently Asked Questions

What is the IUPAC name of ethene;pentane?
The IUPAC name of ethene;pentane (CID 54525676) is ethene;pentane.
What is the SMILES notation for ethene;pentane?
The canonical SMILES for ethene;pentane is C=C.C=C.CCCCC.
What is the InChIKey of ethene;pentane?
The InChIKey is YSYFRRHZEWWNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.2C2H4/c1-3-5-4-2;2*1-2/h3-5H2,1-2H3;2*1-2H2.
What are the key properties of ethene;pentane?
ethene;pentane has a molecular weight of 128.26 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;pentane is sourced from PubChem (CID 54525676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).