cyclobutane;ethane;prop-1-ene

C9H20 — CID 142065281

IUPACcyclobutane;ethane;prop-1-ene
SMILESC1CCC1.C=CC.CC
InChIInChI=1S/C4H8.C3H6.C2H6/c1-2-4-3-1;1-3-2;1-2/h1-4H2;3H,1H2,2H3;1-2H3
InChIKeyOBXNMTIPDRAEAP-UHFFFAOYSA-N
MW128.26 g/mol
LogP3.78
Rot. Bonds

About cyclobutane;ethane;prop-1-ene

cyclobutane;ethane;prop-1-ene (PubChem CID 142065281) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is cyclobutane;ethane;prop-1-ene.

Molecular Properties

Compound Namecyclobutane;ethane;prop-1-ene
PubChem CID142065281
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Namecyclobutane;ethane;prop-1-ene
SMILESC1CCC1.C=CC.CC
InChIInChI=1S/C4H8.C3H6.C2H6/c1-2-4-3-1;1-3-2;1-2/h1-4H2;3H,1H2,2H3;1-2H3
InChIKeyOBXNMTIPDRAEAP-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.78
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
ethane;methane;bis(prop-1-ene)
CID 159459488
prop-1-ene
CID 162178440
ethane;methylcyclohexane;prop-1-ene
CID 143795195
(Z)-but-2-ene;ethane;bis(prop-1-ene)
CID 144848347
azetidine;prop-1-ene
CID 168888111
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

Frequently Asked Questions

What is the IUPAC name of cyclobutane;ethane;prop-1-ene?
The IUPAC name of cyclobutane;ethane;prop-1-ene (CID 142065281) is cyclobutane;ethane;prop-1-ene.
What is the SMILES notation for cyclobutane;ethane;prop-1-ene?
The canonical SMILES for cyclobutane;ethane;prop-1-ene is C1CCC1.C=CC.CC.
What is the InChIKey of cyclobutane;ethane;prop-1-ene?
The InChIKey is OBXNMTIPDRAEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C3H6.C2H6/c1-2-4-3-1;1-3-2;1-2/h1-4H2;3H,1H2,2H3;1-2H3.
What are the key properties of cyclobutane;ethane;prop-1-ene?
cyclobutane;ethane;prop-1-ene has a molecular weight of 128.26 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;ethane;prop-1-ene is sourced from PubChem (CID 142065281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).