ethane;bis(prop-1-ene)

C8H18 — CID 91426438

IUPACethane;bis(prop-1-ene)
SMILESC=CC.C=CC.CC
InChIInChI=1S/2C3H6.C2H6/c2*1-3-2;1-2/h2*3H,1H2,2H3;1-2H3
InChIKeyMSOPUKYICFZCHO-UHFFFAOYSA-N
MW114.23 g/mol
LogP3.41
Rot. Bonds

About ethane;bis(prop-1-ene)

ethane;bis(prop-1-ene) (PubChem CID 91426438) has the molecular formula C8H18 and a molecular weight of 114.23 g/mol. Its IUPAC name is ethane;bis(prop-1-ene).

Molecular Properties

Compound Nameethane;bis(prop-1-ene)
PubChem CID91426438
Molecular FormulaC8H18
Molecular Weight114.23 g/mol
Exact Mass114.14
IUPAC Nameethane;bis(prop-1-ene)
SMILESC=CC.C=CC.CC
InChIInChI=1S/2C3H6.C2H6/c2*1-3-2;1-2/h2*3H,1H2,2H3;1-2H3
InChIKeyMSOPUKYICFZCHO-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.23
LogP ≤ 53.41
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

ethane;tetrakis(prop-1-ene)
CID 90918926
ethane;methane;bis(prop-1-ene)
CID 159459488
prop-1-ene
CID 162178440
(Z)-but-2-ene;ethane;bis(prop-1-ene)
CID 144848347
ethene;tetrakis(prop-1-ene)
CID 158667737
λ2-plumbane;prop-1-ene
CID 173103273
azane;tris(prop-1-ene)
CID 162019717
azane;tris(prop-1-ene)
CID 173323353
prop-1-ene;hydrochloride
CID 19097823
bis(prop-1-ene);hydrate
CID 21257591
buta-1,3-diene;ethane;methane;prop-1-ene
CID 142056054
ethane;2-methylpropane;prop-1-ene
CID 142053608

Frequently Asked Questions

What is the IUPAC name of ethane;bis(prop-1-ene)?
The IUPAC name of ethane;bis(prop-1-ene) (CID 91426438) is ethane;bis(prop-1-ene).
What is the SMILES notation for ethane;bis(prop-1-ene)?
The canonical SMILES for ethane;bis(prop-1-ene) is C=CC.C=CC.CC.
What is the InChIKey of ethane;bis(prop-1-ene)?
The InChIKey is MSOPUKYICFZCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6.C2H6/c2*1-3-2;1-2/h2*3H,1H2,2H3;1-2H3.
What are the key properties of ethane;bis(prop-1-ene)?
ethane;bis(prop-1-ene) has a molecular weight of 114.23 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(prop-1-ene) is sourced from PubChem (CID 91426438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).