methane;2-methylbuta-1,3-diene;1,4-xylene

C14H22 — CID 145089492

IUPACmethane;2-methylbuta-1,3-diene;1,4-xylene
SMILESC.C=CC(=C)C.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C5H8.CH4/c1-7-3-5-8(2)6-4-7;1-4-5(2)3;/h3-6H,1-2H3;4H,1-2H2,3H3;1H4
InChIKeySWXCQTLVFXIQDS-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.69
Rot. Bonds1

About methane;2-methylbuta-1,3-diene;1,4-xylene

methane;2-methylbuta-1,3-diene;1,4-xylene (PubChem CID 145089492) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is methane;2-methylbuta-1,3-diene;1,4-xylene.

Molecular Properties

Compound Namemethane;2-methylbuta-1,3-diene;1,4-xylene
PubChem CID145089492
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Namemethane;2-methylbuta-1,3-diene;1,4-xylene
SMILESC.C=CC(=C)C.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C5H8.CH4/c1-7-3-5-8(2)6-4-7;1-4-5(2)3;/h3-6H,1-2H3;4H,1-2H2,3H3;1H4
InChIKeySWXCQTLVFXIQDS-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;2-methylbuta-1,3-diene;1,4-xylene?
The IUPAC name of methane;2-methylbuta-1,3-diene;1,4-xylene (CID 145089492) is methane;2-methylbuta-1,3-diene;1,4-xylene.
What is the SMILES notation for methane;2-methylbuta-1,3-diene;1,4-xylene?
The canonical SMILES for methane;2-methylbuta-1,3-diene;1,4-xylene is C.C=CC(=C)C.Cc1ccc(C)cc1.
What is the InChIKey of methane;2-methylbuta-1,3-diene;1,4-xylene?
The InChIKey is SWXCQTLVFXIQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C5H8.CH4/c1-7-3-5-8(2)6-4-7;1-4-5(2)3;/h3-6H,1-2H3;4H,1-2H2,3H3;1H4.
What are the key properties of methane;2-methylbuta-1,3-diene;1,4-xylene?
methane;2-methylbuta-1,3-diene;1,4-xylene has a molecular weight of 190.33 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylbuta-1,3-diene;1,4-xylene is sourced from PubChem (CID 145089492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).