(1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene

C12H18 — CID 21159121

IUPAC(1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene
SMILESC/C1=C/CC/C(C)=C\C/C=C\C1
InChIInChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,8-9H,5-7,10H2,1-2H3/b4-3-,11-9-,12-8-
InChIKeyHJFJPKDXNZHKGG-HMBMPNTJSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds

About (1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene

(1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene (PubChem CID 21159121) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene.

Molecular Properties

Compound Name(1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene
PubChem CID21159121
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene
SMILESC/C1=C/CC/C(C)=C\C/C=C\C1
InChIInChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,8-9H,5-7,10H2,1-2H3/b4-3-,11-9-,12-8-
InChIKeyHJFJPKDXNZHKGG-HMBMPNTJSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.01
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

2,7-dimethylcyclodeca-1,4,7-triene
CID 162884907
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
(1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene
CID 140996280
(1Z,4Z,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
CID 24798693
ethane;1-methylcyclobutene
CID 91484029
1-methylcyclobutene;sulfane
CID 90109296
(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene
CID 5367028
(1Z,5Z)-1,6-dimethylcycloocta-1,5-diene
CID 5365761
1-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone
CID 150062283
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylidenecyclotetradeca-1,5,9-triene
CID 14336535
dichloropalladium;1-methylcycloocta-1,5-diene
CID 175566275
(1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene
CID 175103476

Frequently Asked Questions

What is the IUPAC name of (1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene?
The IUPAC name of (1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene (CID 21159121) is (1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene.
What is the SMILES notation for (1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene?
The canonical SMILES for (1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene is C/C1=C/CC/C(C)=C\C/C=C\C1.
What is the InChIKey of (1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene?
The InChIKey is HJFJPKDXNZHKGG-HMBMPNTJSA-N. The full InChI is InChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,8-9H,5-7,10H2,1-2H3/b4-3-,11-9-,12-8-.
What are the key properties of (1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene?
(1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene has a molecular weight of 162.28 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene is sourced from PubChem (CID 21159121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).