(1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene

C17H28 — CID 175103476

IUPAC(1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene
SMILESC/C1=C/C/C=C(/C)CCCCC(C)(C)/C=C\C1
InChIInChI=1S/C17H28/c1-15-9-5-6-13-17(3,4)14-8-12-16(2)11-7-10-15/h8,10-11,14H,5-7,9,12-13H2,1-4H3/b14-8-,15-10-,16-11-
InChIKeyLEGVIPZGPUJLCP-PNZBZYLHSA-N
MW232.41 g/mol
LogP5.82
Rot. Bonds

About (1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene

(1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene (PubChem CID 175103476) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is (1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene.

Molecular Properties

Compound Name(1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene
PubChem CID175103476
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name(1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene
SMILESC/C1=C/C/C=C(/C)CCCCC(C)(C)/C=C\C1
InChIInChI=1S/C17H28/c1-15-9-5-6-13-17(3,4)14-8-12-16(2)11-7-10-15/h8,10-11,14H,5-7,9,12-13H2,1-4H3/b14-8-,15-10-,16-11-
InChIKeyLEGVIPZGPUJLCP-PNZBZYLHSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene with MolForge

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Related Compounds

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CID 140996280
(1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene
CID 160681268
(1R,3E,7E)-1,5,5,8-tetramethylcycloundeca-3,7-dien-1-ol
CID 162927555
(1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene
CID 21159121
(1Z,6E)-1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene
CID 14038477
(1R,4E,7Z,11R)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene
CID 157009966
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
5,8,8-trimethylcycloundeca-1,5,9-triene-1-carboxylic acid
CID 74202895
4,8,8-trimethylcyclooct-3-en-1-one
CID 130029002
(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol
CID 143207326

Frequently Asked Questions

What is the IUPAC name of (1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene?
The IUPAC name of (1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene (CID 175103476) is (1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene.
What is the SMILES notation for (1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene?
The canonical SMILES for (1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene is C/C1=C/C/C=C(/C)CCCCC(C)(C)/C=C\C1.
What is the InChIKey of (1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene?
The InChIKey is LEGVIPZGPUJLCP-PNZBZYLHSA-N. The full InChI is InChI=1S/C17H28/c1-15-9-5-6-13-17(3,4)14-8-12-16(2)11-7-10-15/h8,10-11,14H,5-7,9,12-13H2,1-4H3/b14-8-,15-10-,16-11-.
What are the key properties of (1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene?
(1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene has a molecular weight of 232.41 g/mol, XLogP of 5.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene is sourced from PubChem (CID 175103476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).