(Z)-but-2-ene;ethane;bis(prop-1-ene)

C12H26 — CID 144848347

IUPAC(Z)-but-2-ene;ethane;bis(prop-1-ene)
SMILESC/C=C\C.C=CC.C=CC.CC
InChIInChI=1S/C4H8.2C3H6.C2H6/c1-3-4-2;2*1-3-2;1-2/h3-4H,1-2H3;2*3H,1H2,2H3;1-2H3/b4-3-;;;
InChIKeyCDLGRCQSXUIHJD-FGSKAQBVSA-N
MW170.34 g/mol
LogP4.99
Rot. Bonds

About (Z)-but-2-ene;ethane;bis(prop-1-ene)

(Z)-but-2-ene;ethane;bis(prop-1-ene) (PubChem CID 144848347) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;bis(prop-1-ene).

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;bis(prop-1-ene)
PubChem CID144848347
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name(Z)-but-2-ene;ethane;bis(prop-1-ene)
SMILESC/C=C\C.C=CC.C=CC.CC
InChIInChI=1S/C4H8.2C3H6.C2H6/c1-3-4-2;2*1-3-2;1-2/h3-4H,1-2H3;2*3H,1H2,2H3;1-2H3/b4-3-;;;
InChIKeyCDLGRCQSXUIHJD-FGSKAQBVSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.99
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

but-2-ene;bis(prop-1-ene)
CID 157334183
(Z)-but-2-ene;ethene;bis(prop-1-ene)
CID 160593626
ethane;bis(prop-1-ene)
CID 91426438
ethane;tetrakis(prop-1-ene)
CID 90918926
(Z)-but-2-ene;ethane;ethene;2-methylpropane;prop-1-ene
CID 171506340
ethane;methane;bis(prop-1-ene)
CID 159459488
prop-1-ene
CID 162178440
(Z)-but-2-ene;ethane
CID 90897883
λ2-plumbane;prop-1-ene
CID 173103273
ethene;tetrakis(prop-1-ene)
CID 158667737
azane;tris(prop-1-ene)
CID 162019717
azane;tris(prop-1-ene)
CID 173323353

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;bis(prop-1-ene)?
The IUPAC name of (Z)-but-2-ene;ethane;bis(prop-1-ene) (CID 144848347) is (Z)-but-2-ene;ethane;bis(prop-1-ene).
What is the SMILES notation for (Z)-but-2-ene;ethane;bis(prop-1-ene)?
The canonical SMILES for (Z)-but-2-ene;ethane;bis(prop-1-ene) is C/C=C\C.C=CC.C=CC.CC.
What is the InChIKey of (Z)-but-2-ene;ethane;bis(prop-1-ene)?
The InChIKey is CDLGRCQSXUIHJD-FGSKAQBVSA-N. The full InChI is InChI=1S/C4H8.2C3H6.C2H6/c1-3-4-2;2*1-3-2;1-2/h3-4H,1-2H3;2*3H,1H2,2H3;1-2H3/b4-3-;;;.
What are the key properties of (Z)-but-2-ene;ethane;bis(prop-1-ene)?
(Z)-but-2-ene;ethane;bis(prop-1-ene) has a molecular weight of 170.34 g/mol, XLogP of 4.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;ethane;bis(prop-1-ene) is sourced from PubChem (CID 144848347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).