(1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene

C30H48 — CID 160681268

IUPAC(1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene
SMILESC=C1C/C=C/C(C)(C)C/C=C(\C)CCC1.C=C1C/C=C/C(C)(C)CC=C(C)CCC1
InChIInChI=1S/2C15H24/c2*1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h2*6,10-11H,1,5,7-9,12H2,2-4H3/b11-6+,14-10?;11-6+,14-10+
InChIKeyROEGBSQRNMFRKN-RYRBEGAXSA-N
MW408.71 g/mol
LogP10.07
Rot. Bonds

About (1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene

(1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene (PubChem CID 160681268) has the molecular formula C30H48 and a molecular weight of 408.71 g/mol. Its IUPAC name is (1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene.

Molecular Properties

Compound Name(1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene
PubChem CID160681268
Molecular FormulaC30H48
Molecular Weight408.71 g/mol
Exact Mass408.38
IUPAC Name(1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene
SMILESC=C1C/C=C/C(C)(C)C/C=C(\C)CCC1.C=C1C/C=C/C(C)(C)CC=C(C)CCC1
InChIInChI=1S/2C15H24/c2*1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h2*6,10-11H,1,5,7-9,12H2,2-4H3/b11-6+,14-10?;11-6+,14-10+
InChIKeyROEGBSQRNMFRKN-RYRBEGAXSA-N
XLogP10.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 510.07
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

(1Z,4Z,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
CID 24798693
(1R,3E,7E)-1,5,5,8-tetramethylcycloundeca-3,7-dien-1-ol
CID 162927555
(1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene
CID 175103476
5,8,8-trimethylcycloundeca-1,5,9-triene-1-carboxylic acid
CID 74202895
(1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol
CID 177497934
1,5-dimethylcyclohepta-2,5-dien-1-ol
CID 143034749
1,4,8,12,12-pentamethyl-15-oxabicyclo[12.1.0]pentadeca-3,7,10-triene
CID 163114003
4,4,7-trimethylcycloundeca-2,6,10-trien-1-one
CID 74348357
(1Z,6E)-1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene
CID 14038477
(1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene
CID 140996280
5,5,8-trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-1-carbaldehyde
CID 162992711
4-methylidenecycloheptene
CID 57195729

Frequently Asked Questions

What is the IUPAC name of (1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene?
The IUPAC name of (1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene (CID 160681268) is (1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene.
What is the SMILES notation for (1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene?
The canonical SMILES for (1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene is C=C1C/C=C/C(C)(C)C/C=C(\C)CCC1.C=C1C/C=C/C(C)(C)CC=C(C)CCC1.
What is the InChIKey of (1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene?
The InChIKey is ROEGBSQRNMFRKN-RYRBEGAXSA-N. The full InChI is InChI=1S/2C15H24/c2*1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h2*6,10-11H,1,5,7-9,12H2,2-4H3/b11-6+,14-10?;11-6+,14-10+.
What are the key properties of (1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene?
(1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene has a molecular weight of 408.71 g/mol, XLogP of 10.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene is sourced from PubChem (CID 160681268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).