(1Z)-1-bromo-12-methoxycyclododecene

C13H23BrO — CID 177447316

IUPAC(1Z)-1-bromo-12-methoxycyclododecene
SMILESCOC1CCCCCCCCC/C=C/1Br
InChIInChI=1S/C13H23BrO/c1-15-13-11-9-7-5-3-2-4-6-8-10-12(13)14/h10,13H,2-9,11H2,1H3/b12-10-
InChIKeyGOZPZHWBOGDPRD-BENRWUELSA-N
MW275.23 g/mol
LogP4.80
Rot. Bonds1

About (1Z)-1-bromo-12-methoxycyclododecene

(1Z)-1-bromo-12-methoxycyclododecene (PubChem CID 177447316) has the molecular formula C13H23BrO and a molecular weight of 275.23 g/mol. Its IUPAC name is (1Z)-1-bromo-12-methoxycyclododecene.

Molecular Properties

Compound Name(1Z)-1-bromo-12-methoxycyclododecene
PubChem CID177447316
Molecular FormulaC13H23BrO
Molecular Weight275.23 g/mol
Exact Mass274.09
IUPAC Name(1Z)-1-bromo-12-methoxycyclododecene
SMILESCOC1CCCCCCCCC/C=C/1Br
InChIInChI=1S/C13H23BrO/c1-15-13-11-9-7-5-3-2-4-6-8-10-12(13)14/h10,13H,2-9,11H2,1H3/b12-10-
InChIKeyGOZPZHWBOGDPRD-BENRWUELSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-bromo-12-methoxycyclododecene?
The IUPAC name of (1Z)-1-bromo-12-methoxycyclododecene (CID 177447316) is (1Z)-1-bromo-12-methoxycyclododecene.
What is the SMILES notation for (1Z)-1-bromo-12-methoxycyclododecene?
The canonical SMILES for (1Z)-1-bromo-12-methoxycyclododecene is COC1CCCCCCCCC/C=C/1Br.
What is the InChIKey of (1Z)-1-bromo-12-methoxycyclododecene?
The InChIKey is GOZPZHWBOGDPRD-BENRWUELSA-N. The full InChI is InChI=1S/C13H23BrO/c1-15-13-11-9-7-5-3-2-4-6-8-10-12(13)14/h10,13H,2-9,11H2,1H3/b12-10-.
What are the key properties of (1Z)-1-bromo-12-methoxycyclododecene?
(1Z)-1-bromo-12-methoxycyclododecene has a molecular weight of 275.23 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-bromo-12-methoxycyclododecene is sourced from PubChem (CID 177447316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).