buta-1,3-diene;ethane;prop-1-ene;1,4-xylene

C19H34 — CID 142250426

IUPACbuta-1,3-diene;ethane;prop-1-ene;1,4-xylene
SMILESC=CC.C=CC=C.CC.CC.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C4H6.C3H6.2C2H6/c1-7-3-5-8(2)6-4-7;1-3-4-2;1-3-2;2*1-2/h3-6H,1-2H3;3-4H,1-2H2;3H,1H2,2H3;2*1-2H3
InChIKeyRZHVJFCHYJVKMA-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.91
Rot. Bonds1

About buta-1,3-diene;ethane;prop-1-ene;1,4-xylene

buta-1,3-diene;ethane;prop-1-ene;1,4-xylene (PubChem CID 142250426) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is buta-1,3-diene;ethane;prop-1-ene;1,4-xylene.

Molecular Properties

Compound Namebuta-1,3-diene;ethane;prop-1-ene;1,4-xylene
PubChem CID142250426
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Namebuta-1,3-diene;ethane;prop-1-ene;1,4-xylene
SMILESC=CC.C=CC=C.CC.CC.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C4H6.C3H6.2C2H6/c1-7-3-5-8(2)6-4-7;1-3-4-2;1-3-2;2*1-2/h3-6H,1-2H3;3-4H,1-2H2;3H,1H2,2H3;2*1-2H3
InChIKeyRZHVJFCHYJVKMA-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

buta-1,3-diene;ethane;1-methyl-4-phenylbenzene
CID 143599647
ethane;1-ethyl-4-methylbenzene;prop-1-ene
CID 143347591
buta-1,3-diene;ethane;methane;prop-1-ene
CID 142056054
ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene
CID 145031830
1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene
CID 143109354
buta-1,3-diene;1-buta-1,3-dien-2-yl-4-methylbenzene
CID 174224739
ethane;methanol;1,4-xylene
CID 171074418
1,2-bis(ethenyl)-4-methylbenzene;ethane;methane;prop-1-ene
CID 143109411
ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene
CID 144729160
CID 174976037
CID 174976037
1-ethenyl-4-methylbenzene;methane
CID 142136023
methane;pentakis(1,4-xylene)
CID 160760083

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;ethane;prop-1-ene;1,4-xylene?
The IUPAC name of buta-1,3-diene;ethane;prop-1-ene;1,4-xylene (CID 142250426) is buta-1,3-diene;ethane;prop-1-ene;1,4-xylene.
What is the SMILES notation for buta-1,3-diene;ethane;prop-1-ene;1,4-xylene?
The canonical SMILES for buta-1,3-diene;ethane;prop-1-ene;1,4-xylene is C=CC.C=CC=C.CC.CC.Cc1ccc(C)cc1.
What is the InChIKey of buta-1,3-diene;ethane;prop-1-ene;1,4-xylene?
The InChIKey is RZHVJFCHYJVKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C4H6.C3H6.2C2H6/c1-7-3-5-8(2)6-4-7;1-3-4-2;1-3-2;2*1-2/h3-6H,1-2H3;3-4H,1-2H2;3H,1H2,2H3;2*1-2H3.
What are the key properties of buta-1,3-diene;ethane;prop-1-ene;1,4-xylene?
buta-1,3-diene;ethane;prop-1-ene;1,4-xylene has a molecular weight of 262.48 g/mol, XLogP of 6.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;ethane;prop-1-ene;1,4-xylene is sourced from PubChem (CID 142250426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).