ethane;methane;bis(prop-1-ene)

C9H22 — CID 159459488

IUPACethane;methane;bis(prop-1-ene)
SMILESC.C=CC.C=CC.CC
InChIInChI=1S/2C3H6.C2H6.CH4/c2*1-3-2;1-2;/h2*3H,1H2,2H3;1-2H3;1H4
InChIKeyLUKGSPDDQINUHW-UHFFFAOYSA-N
MW130.27 g/mol
LogP4.05
Rot. Bonds

About ethane;methane;bis(prop-1-ene)

ethane;methane;bis(prop-1-ene) (PubChem CID 159459488) has the molecular formula C9H22 and a molecular weight of 130.27 g/mol. Its IUPAC name is ethane;methane;bis(prop-1-ene).

Molecular Properties

Compound Nameethane;methane;bis(prop-1-ene)
PubChem CID159459488
Molecular FormulaC9H22
Molecular Weight130.27 g/mol
Exact Mass130.17
IUPAC Nameethane;methane;bis(prop-1-ene)
SMILESC.C=CC.C=CC.CC
InChIInChI=1S/2C3H6.C2H6.CH4/c2*1-3-2;1-2;/h2*3H,1H2,2H3;1-2H3;1H4
InChIKeyLUKGSPDDQINUHW-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.27
LogP ≤ 54.05
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;bis(prop-1-ene)
CID 91426438
buta-1,3-diene;ethane;methane;prop-1-ene
CID 142056054
methane;prop-1-ene;sulfane
CID 20979358
prop-1-ene
CID 162178440
(Z)-but-2-ene;ethane;bis(prop-1-ene)
CID 144848347
azane;tris(prop-1-ene)
CID 162019717
ethene;tetrakis(prop-1-ene)
CID 158667737
azane;tris(prop-1-ene)
CID 173323353
λ2-plumbane;prop-1-ene
CID 173103273
bis(prop-1-ene);hydrate
CID 21257591
prop-1-ene;hydrochloride
CID 19097823

Frequently Asked Questions

What is the IUPAC name of ethane;methane;bis(prop-1-ene)?
The IUPAC name of ethane;methane;bis(prop-1-ene) (CID 159459488) is ethane;methane;bis(prop-1-ene).
What is the SMILES notation for ethane;methane;bis(prop-1-ene)?
The canonical SMILES for ethane;methane;bis(prop-1-ene) is C.C=CC.C=CC.CC.
What is the InChIKey of ethane;methane;bis(prop-1-ene)?
The InChIKey is LUKGSPDDQINUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6.C2H6.CH4/c2*1-3-2;1-2;/h2*3H,1H2,2H3;1-2H3;1H4.
What are the key properties of ethane;methane;bis(prop-1-ene)?
ethane;methane;bis(prop-1-ene) has a molecular weight of 130.27 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;bis(prop-1-ene) is sourced from PubChem (CID 159459488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).