(1Z,3E)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene

C17H30O — CID 6365749

IUPAC(1Z,3E)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene
SMILESCCOC1(C)CCCCC(C)/C=C/C=C(/C)CC1
InChIInChI=1S/C17H30O/c1-5-18-17(4)13-7-6-9-15(2)10-8-11-16(3)12-14-17/h8,10-11,15H,5-7,9,12-14H2,1-4H3/b10-8+,16-11-
InChIKeyIRLFTWWAUJGKFF-RJZVDHPXSA-N
MW250.43 g/mol
LogP5.27
Rot. Bonds2

About (1Z,3E)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene

(1Z,3E)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene (PubChem CID 6365749) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (1Z,3E)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene.

Molecular Properties

Compound Name(1Z,3E)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene
PubChem CID6365749
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(1Z,3E)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene
SMILESCCOC1(C)CCCCC(C)/C=C/C=C(/C)CC1
InChIInChI=1S/C17H30O/c1-5-18-17(4)13-7-6-9-15(2)10-8-11-16(3)12-14-17/h8,10-11,15H,5-7,9,12-14H2,1-4H3/b10-8+,16-11-
InChIKeyIRLFTWWAUJGKFF-RJZVDHPXSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene?
The IUPAC name of (1Z,3E)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene (CID 6365749) is (1Z,3E)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene.
What is the SMILES notation for (1Z,3E)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene?
The canonical SMILES for (1Z,3E)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene is CCOC1(C)CCCCC(C)/C=C/C=C(/C)CC1.
What is the InChIKey of (1Z,3E)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene?
The InChIKey is IRLFTWWAUJGKFF-RJZVDHPXSA-N. The full InChI is InChI=1S/C17H30O/c1-5-18-17(4)13-7-6-9-15(2)10-8-11-16(3)12-14-17/h8,10-11,15H,5-7,9,12-14H2,1-4H3/b10-8+,16-11-.
What are the key properties of (1Z,3E)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene?
(1Z,3E)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene has a molecular weight of 250.43 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene is sourced from PubChem (CID 6365749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).