(2E,6E,8S,9S,10R)-8-methoxy-9,10-dimethylcyclododeca-2,6-dien-1-one

C15H24O2 — CID 67765220

IUPAC(2E,6E,8S,9S,10R)-8-methoxy-9,10-dimethylcyclododeca-2,6-dien-1-one
SMILESCO[C@H]1/C=C/CC/C=C/C(=O)CC[C@@H](C)[C@@H]1C
InChIInChI=1S/C15H24O2/c1-12-10-11-14(16)8-6-4-5-7-9-15(17-3)13(12)2/h6-9,12-13,15H,4-5,10-11H2,1-3H3/b8-6+,9-7+/t12-,13+,15+/m1/s1
InChIKeyJATFICVFOTWLOW-ZQWRQMRDSA-N
MW236.35 g/mol
LogP3.53
Rot. Bonds1

About (2E,6E,8S,9S,10R)-8-methoxy-9,10-dimethylcyclododeca-2,6-dien-1-one

(2E,6E,8S,9S,10R)-8-methoxy-9,10-dimethylcyclododeca-2,6-dien-1-one (PubChem CID 67765220) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (2E,6E,8S,9S,10R)-8-methoxy-9,10-dimethylcyclododeca-2,6-dien-1-one.

Molecular Properties

Compound Name(2E,6E,8S,9S,10R)-8-methoxy-9,10-dimethylcyclododeca-2,6-dien-1-one
PubChem CID67765220
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(2E,6E,8S,9S,10R)-8-methoxy-9,10-dimethylcyclododeca-2,6-dien-1-one
SMILESCO[C@H]1/C=C/CC/C=C/C(=O)CC[C@@H](C)[C@@H]1C
InChIInChI=1S/C15H24O2/c1-12-10-11-14(16)8-6-4-5-7-9-15(17-3)13(12)2/h6-9,12-13,15H,4-5,10-11H2,1-3H3/b8-6+,9-7+/t12-,13+,15+/m1/s1
InChIKeyJATFICVFOTWLOW-ZQWRQMRDSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2E,6E,8S,9S,10R)-8-methoxy-9,10-dimethylcyclododeca-2,6-dien-1-one?
The IUPAC name of (2E,6E,8S,9S,10R)-8-methoxy-9,10-dimethylcyclododeca-2,6-dien-1-one (CID 67765220) is (2E,6E,8S,9S,10R)-8-methoxy-9,10-dimethylcyclododeca-2,6-dien-1-one.
What is the SMILES notation for (2E,6E,8S,9S,10R)-8-methoxy-9,10-dimethylcyclododeca-2,6-dien-1-one?
The canonical SMILES for (2E,6E,8S,9S,10R)-8-methoxy-9,10-dimethylcyclododeca-2,6-dien-1-one is CO[C@H]1/C=C/CC/C=C/C(=O)CC[C@@H](C)[C@@H]1C.
What is the InChIKey of (2E,6E,8S,9S,10R)-8-methoxy-9,10-dimethylcyclododeca-2,6-dien-1-one?
The InChIKey is JATFICVFOTWLOW-ZQWRQMRDSA-N. The full InChI is InChI=1S/C15H24O2/c1-12-10-11-14(16)8-6-4-5-7-9-15(17-3)13(12)2/h6-9,12-13,15H,4-5,10-11H2,1-3H3/b8-6+,9-7+/t12-,13+,15+/m1/s1.
What are the key properties of (2E,6E,8S,9S,10R)-8-methoxy-9,10-dimethylcyclododeca-2,6-dien-1-one?
(2E,6E,8S,9S,10R)-8-methoxy-9,10-dimethylcyclododeca-2,6-dien-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,8S,9S,10R)-8-methoxy-9,10-dimethylcyclododeca-2,6-dien-1-one is sourced from PubChem (CID 67765220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).