(1E,5E)-1,5,8,8-tetramethylcycloundeca-1,5-diene

C15H26 — CID 91998567

IUPAC(1E,5E)-1,5,8,8-tetramethylcycloundeca-1,5-diene
SMILESC/C1=C\CC(C)(C)CCC/C(C)=C/CC1
InChIInChI=1S/C15H26/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h7,10H,5-6,8-9,11-12H2,1-4H3/b13-7+,14-10+
InChIKeyWAAMRUBBXSLLEE-SEWRKBRGSA-N
MW206.37 g/mol
LogP5.26
Rot. Bonds

About (1E,5E)-1,5,8,8-tetramethylcycloundeca-1,5-diene

(1E,5E)-1,5,8,8-tetramethylcycloundeca-1,5-diene (PubChem CID 91998567) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (1E,5E)-1,5,8,8-tetramethylcycloundeca-1,5-diene.

Molecular Properties

Compound Name(1E,5E)-1,5,8,8-tetramethylcycloundeca-1,5-diene
PubChem CID91998567
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(1E,5E)-1,5,8,8-tetramethylcycloundeca-1,5-diene
SMILESC/C1=C\CC(C)(C)CCC/C(C)=C/CC1
InChIInChI=1S/C15H26/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h7,10H,5-6,8-9,11-12H2,1-4H3/b13-7+,14-10+
InChIKeyWAAMRUBBXSLLEE-SEWRKBRGSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(-)-Caryophyllene
CID 5281515
3-Carene
CID 26049
(+)-3-Carene
CID 443156
Beta-Bisabolene
CID 10104370
(-)-Isocaryophyllene
CID 5281522
Elemene
CID 12309449
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
(-)-3-Carene
CID 442461
2-Carene, (+)-
CID 78249
Axerophthene
CID 5287722
Trans-alpha-Bergamotene
CID 6429302

Frequently Asked Questions

What is the IUPAC name of (1E,5E)-1,5,8,8-tetramethylcycloundeca-1,5-diene?
The IUPAC name of (1E,5E)-1,5,8,8-tetramethylcycloundeca-1,5-diene (CID 91998567) is (1E,5E)-1,5,8,8-tetramethylcycloundeca-1,5-diene.
What is the SMILES notation for (1E,5E)-1,5,8,8-tetramethylcycloundeca-1,5-diene?
The canonical SMILES for (1E,5E)-1,5,8,8-tetramethylcycloundeca-1,5-diene is C/C1=C\CC(C)(C)CCC/C(C)=C/CC1.
What is the InChIKey of (1E,5E)-1,5,8,8-tetramethylcycloundeca-1,5-diene?
The InChIKey is WAAMRUBBXSLLEE-SEWRKBRGSA-N. The full InChI is InChI=1S/C15H26/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h7,10H,5-6,8-9,11-12H2,1-4H3/b13-7+,14-10+.
What are the key properties of (1E,5E)-1,5,8,8-tetramethylcycloundeca-1,5-diene?
(1E,5E)-1,5,8,8-tetramethylcycloundeca-1,5-diene has a molecular weight of 206.37 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5E)-1,5,8,8-tetramethylcycloundeca-1,5-diene is sourced from PubChem (CID 91998567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).