butane;methane;1,3-xylene;1,4-xylene

C22H38 — CID 159094623

IUPACbutane;methane;1,3-xylene;1,4-xylene
SMILESC.C.CCCC.Cc1ccc(C)cc1.Cc1cccc(C)c1
InChIInChI=1S/2C8H10.C4H10.2CH4/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-3-4-2;;/h2*3-6H,1-2H3;3-4H2,1-2H3;2*1H4
InChIKeyKCMVWSCIKMLPHU-UHFFFAOYSA-N
MW302.55 g/mol
LogP7.69
Rot. Bonds1

About butane;methane;1,3-xylene;1,4-xylene

butane;methane;1,3-xylene;1,4-xylene (PubChem CID 159094623) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is butane;methane;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Namebutane;methane;1,3-xylene;1,4-xylene
PubChem CID159094623
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Namebutane;methane;1,3-xylene;1,4-xylene
SMILESC.C.CCCC.Cc1ccc(C)cc1.Cc1cccc(C)c1
InChIInChI=1S/2C8H10.C4H10.2CH4/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-3-4-2;;/h2*3-6H,1-2H3;3-4H2,1-2H3;2*1H4
InChIKeyKCMVWSCIKMLPHU-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butane;methane;1,3-xylene;1,4-xylene?
The IUPAC name of butane;methane;1,3-xylene;1,4-xylene (CID 159094623) is butane;methane;1,3-xylene;1,4-xylene.
What is the SMILES notation for butane;methane;1,3-xylene;1,4-xylene?
The canonical SMILES for butane;methane;1,3-xylene;1,4-xylene is C.C.CCCC.Cc1ccc(C)cc1.Cc1cccc(C)c1.
What is the InChIKey of butane;methane;1,3-xylene;1,4-xylene?
The InChIKey is KCMVWSCIKMLPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10.C4H10.2CH4/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-3-4-2;;/h2*3-6H,1-2H3;3-4H2,1-2H3;2*1H4.
What are the key properties of butane;methane;1,3-xylene;1,4-xylene?
butane;methane;1,3-xylene;1,4-xylene has a molecular weight of 302.55 g/mol, XLogP of 7.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methane;1,3-xylene;1,4-xylene is sourced from PubChem (CID 159094623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).