(1Z,5Z)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene

C16H28O — CID 70503450

IUPAC(1Z,5Z)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene
SMILESCOC1(C)CCC/C=C(/C)CC/C=C(/C)CC1
InChIInChI=1S/C16H28O/c1-14-8-5-6-12-16(3,17-4)13-11-15(2)10-7-9-14/h8,10H,5-7,9,11-13H2,1-4H3/b14-8-,15-10-
InChIKeyFZIGDKXILZIFTK-CKXDQZPMSA-N
MW236.40 g/mol
LogP5.03
Rot. Bonds1

About (1Z,5Z)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene

(1Z,5Z)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene (PubChem CID 70503450) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (1Z,5Z)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene.

Molecular Properties

Compound Name(1Z,5Z)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene
PubChem CID70503450
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(1Z,5Z)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene
SMILESCOC1(C)CCC/C=C(/C)CC/C=C(/C)CC1
InChIInChI=1S/C16H28O/c1-14-8-5-6-12-16(3,17-4)13-11-15(2)10-7-9-14/h8,10H,5-7,9,11-13H2,1-4H3/b14-8-,15-10-
InChIKeyFZIGDKXILZIFTK-CKXDQZPMSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (1Z,5Z)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene?
The IUPAC name of (1Z,5Z)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene (CID 70503450) is (1Z,5Z)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene.
What is the SMILES notation for (1Z,5Z)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene?
The canonical SMILES for (1Z,5Z)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene is COC1(C)CCC/C=C(/C)CC/C=C(/C)CC1.
What is the InChIKey of (1Z,5Z)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene?
The InChIKey is FZIGDKXILZIFTK-CKXDQZPMSA-N. The full InChI is InChI=1S/C16H28O/c1-14-8-5-6-12-16(3,17-4)13-11-15(2)10-7-9-14/h8,10H,5-7,9,11-13H2,1-4H3/b14-8-,15-10-.
What are the key properties of (1Z,5Z)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene?
(1Z,5Z)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene has a molecular weight of 236.40 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene is sourced from PubChem (CID 70503450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).