butane;but-2-ene;but-2-yne;ethane;methane;1,4-xylene

C23H44 — CID 159150039

IUPACbutane;but-2-ene;but-2-yne;ethane;methane;1,4-xylene
SMILESC.CC.CC#CC.CC=CC.CCCC.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C4H10.C4H8.C4H6.C2H6.CH4/c1-7-3-5-8(2)6-4-7;3*1-3-4-2;1-2;/h3-6H,1-2H3;3-4H2,1-2H3;3-4H,1-2H3;1-2H3;1-2H3;1H4
InChIKeyKJDVQSCBXSVNHZ-UHFFFAOYSA-N
MW320.61 g/mol
LogP8.38
Rot. Bonds1

About butane;but-2-ene;but-2-yne;ethane;methane;1,4-xylene

butane;but-2-ene;but-2-yne;ethane;methane;1,4-xylene (PubChem CID 159150039) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is butane;but-2-ene;but-2-yne;ethane;methane;1,4-xylene.

Molecular Properties

Compound Namebutane;but-2-ene;but-2-yne;ethane;methane;1,4-xylene
PubChem CID159150039
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Namebutane;but-2-ene;but-2-yne;ethane;methane;1,4-xylene
SMILESC.CC.CC#CC.CC=CC.CCCC.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C4H10.C4H8.C4H6.C2H6.CH4/c1-7-3-5-8(2)6-4-7;3*1-3-4-2;1-2;/h3-6H,1-2H3;3-4H2,1-2H3;3-4H,1-2H3;1-2H3;1-2H3;1H4
InChIKeyKJDVQSCBXSVNHZ-UHFFFAOYSA-N
XLogP8.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butane;but-2-ene;but-2-yne;ethane;methane;1,4-xylene?
The IUPAC name of butane;but-2-ene;but-2-yne;ethane;methane;1,4-xylene (CID 159150039) is butane;but-2-ene;but-2-yne;ethane;methane;1,4-xylene.
What is the SMILES notation for butane;but-2-ene;but-2-yne;ethane;methane;1,4-xylene?
The canonical SMILES for butane;but-2-ene;but-2-yne;ethane;methane;1,4-xylene is C.CC.CC#CC.CC=CC.CCCC.Cc1ccc(C)cc1.
What is the InChIKey of butane;but-2-ene;but-2-yne;ethane;methane;1,4-xylene?
The InChIKey is KJDVQSCBXSVNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C4H10.C4H8.C4H6.C2H6.CH4/c1-7-3-5-8(2)6-4-7;3*1-3-4-2;1-2;/h3-6H,1-2H3;3-4H2,1-2H3;3-4H,1-2H3;1-2H3;1-2H3;1H4.
What are the key properties of butane;but-2-ene;but-2-yne;ethane;methane;1,4-xylene?
butane;but-2-ene;but-2-yne;ethane;methane;1,4-xylene has a molecular weight of 320.61 g/mol, XLogP of 8.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;but-2-ene;but-2-yne;ethane;methane;1,4-xylene is sourced from PubChem (CID 159150039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).