methane;4-methyl-1-[(1Z)-3-methylbuta-1,3-dienyl]cyclohepta-1,3,5-triene;(3Z)-2-methylpenta-1,3-diene

C20H30 — CID 143099724

IUPACmethane;4-methyl-1-[(1Z)-3-methylbuta-1,3-dienyl]cyclohepta-1,3,5-triene;(3Z)-2-methylpenta-1,3-diene
SMILESC.C=C(C)/C=C\C.C=C(C)/C=C\C1=CC=C(C)C=CC1
InChIInChI=1S/C13H16.C6H10.CH4/c1-11(2)7-9-13-6-4-5-12(3)8-10-13;1-4-5-6(2)3;/h4-5,7-10H,1,6H2,2-3H3;4-5H,2H2,1,3H3;1H4/b9-7-;5-4-;
InChIKeyXHFDBDFUJCIGSS-NAWXTOBUSA-N
MW270.46 g/mol
LogP6.73
Rot. Bonds3

About methane;4-methyl-1-[(1Z)-3-methylbuta-1,3-dienyl]cyclohepta-1,3,5-triene;(3Z)-2-methylpenta-1,3-diene

methane;4-methyl-1-[(1Z)-3-methylbuta-1,3-dienyl]cyclohepta-1,3,5-triene;(3Z)-2-methylpenta-1,3-diene (PubChem CID 143099724) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is methane;4-methyl-1-[(1Z)-3-methylbuta-1,3-dienyl]cyclohepta-1,3,5-triene;(3Z)-2-methylpenta-1,3-diene.

Molecular Properties

Compound Namemethane;4-methyl-1-[(1Z)-3-methylbuta-1,3-dienyl]cyclohepta-1,3,5-triene;(3Z)-2-methylpenta-1,3-diene
PubChem CID143099724
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Namemethane;4-methyl-1-[(1Z)-3-methylbuta-1,3-dienyl]cyclohepta-1,3,5-triene;(3Z)-2-methylpenta-1,3-diene
SMILESC.C=C(C)/C=C\C.C=C(C)/C=C\C1=CC=C(C)C=CC1
InChIInChI=1S/C13H16.C6H10.CH4/c1-11(2)7-9-13-6-4-5-12(3)8-10-13;1-4-5-6(2)3;/h4-5,7-10H,1,6H2,2-3H3;4-5H,2H2,1,3H3;1H4/b9-7-;5-4-;
InChIKeyXHFDBDFUJCIGSS-NAWXTOBUSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.73
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;4-methyl-1-[(1Z)-3-methylbuta-1,3-dienyl]cyclohepta-1,3,5-triene;(3Z)-2-methylpenta-1,3-diene?
The IUPAC name of methane;4-methyl-1-[(1Z)-3-methylbuta-1,3-dienyl]cyclohepta-1,3,5-triene;(3Z)-2-methylpenta-1,3-diene (CID 143099724) is methane;4-methyl-1-[(1Z)-3-methylbuta-1,3-dienyl]cyclohepta-1,3,5-triene;(3Z)-2-methylpenta-1,3-diene.
What is the SMILES notation for methane;4-methyl-1-[(1Z)-3-methylbuta-1,3-dienyl]cyclohepta-1,3,5-triene;(3Z)-2-methylpenta-1,3-diene?
The canonical SMILES for methane;4-methyl-1-[(1Z)-3-methylbuta-1,3-dienyl]cyclohepta-1,3,5-triene;(3Z)-2-methylpenta-1,3-diene is C.C=C(C)/C=C\C.C=C(C)/C=C\C1=CC=C(C)C=CC1.
What is the InChIKey of methane;4-methyl-1-[(1Z)-3-methylbuta-1,3-dienyl]cyclohepta-1,3,5-triene;(3Z)-2-methylpenta-1,3-diene?
The InChIKey is XHFDBDFUJCIGSS-NAWXTOBUSA-N. The full InChI is InChI=1S/C13H16.C6H10.CH4/c1-11(2)7-9-13-6-4-5-12(3)8-10-13;1-4-5-6(2)3;/h4-5,7-10H,1,6H2,2-3H3;4-5H,2H2,1,3H3;1H4/b9-7-;5-4-;.
What are the key properties of methane;4-methyl-1-[(1Z)-3-methylbuta-1,3-dienyl]cyclohepta-1,3,5-triene;(3Z)-2-methylpenta-1,3-diene?
methane;4-methyl-1-[(1Z)-3-methylbuta-1,3-dienyl]cyclohepta-1,3,5-triene;(3Z)-2-methylpenta-1,3-diene has a molecular weight of 270.46 g/mol, XLogP of 6.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methyl-1-[(1Z)-3-methylbuta-1,3-dienyl]cyclohepta-1,3,5-triene;(3Z)-2-methylpenta-1,3-diene is sourced from PubChem (CID 143099724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).