1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene

C15H24 — CID 3015263

IUPAC1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene
SMILESC=C1C=CC(C)(C)CCCC(C)=CCC1
InChIInChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h7,10,12H,2,5-6,8-9,11H2,1,3-4H3
InChIKeyFNXUOGPQAOCFKU-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.04
Rot. Bonds

About 1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene

1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene (PubChem CID 3015263) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene.

Molecular Properties

Compound Name1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene
PubChem CID3015263
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene
SMILESC=C1C=CC(C)(C)CCCC(C)=CCC1
InChIInChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h7,10,12H,2,5-6,8-9,11H2,1,3-4H3
InChIKeyFNXUOGPQAOCFKU-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene?
The IUPAC name of 1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene (CID 3015263) is 1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene.
What is the SMILES notation for 1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene?
The canonical SMILES for 1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene is C=C1C=CC(C)(C)CCCC(C)=CCC1.
What is the InChIKey of 1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene?
The InChIKey is FNXUOGPQAOCFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h7,10,12H,2,5-6,8-9,11H2,1,3-4H3.
What are the key properties of 1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene?
1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene has a molecular weight of 204.36 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene is sourced from PubChem (CID 3015263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).