(1-propa-1,2-dienylcyclooctyl) acetate

C13H20O2 — CID 102074040

IUPAC(1-propa-1,2-dienylcyclooctyl) acetate
SMILESC=C=CC1(OC(C)=O)CCCCCCC1
InChIInChI=1S/C13H20O2/c1-3-9-13(15-12(2)14)10-7-5-4-6-8-11-13/h9H,1,4-8,10-11H2,2H3
InChIKeyZHPZICGGPJJZCW-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.37
Rot. Bonds2

About (1-propa-1,2-dienylcyclooctyl) acetate

(1-propa-1,2-dienylcyclooctyl) acetate (PubChem CID 102074040) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1-propa-1,2-dienylcyclooctyl) acetate.

Molecular Properties

Compound Name(1-propa-1,2-dienylcyclooctyl) acetate
PubChem CID102074040
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1-propa-1,2-dienylcyclooctyl) acetate
SMILESC=C=CC1(OC(C)=O)CCCCCCC1
InChIInChI=1S/C13H20O2/c1-3-9-13(15-12(2)14)10-7-5-4-6-8-11-13/h9H,1,4-8,10-11H2,2H3
InChIKeyZHPZICGGPJJZCW-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-formylcyclopropyl) acetate
CID 155705215
[1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate
CID 118541075
potassium;(1-formylcyclopropyl) acetate;hydride
CID 175076174
(1-hydroxycyclooctyl) acetate
CID 91039609
1-propa-1,2-dienylcyclopentan-1-ol
CID 11344016
1-methyl-1-propa-1,2-dienylcyclopentadecane
CID 174968799
(1-prop-1-en-2-ylcyclopentyl) acetate
CID 12721513
(1-tert-butylcyclopentyl) acetate
CID 58430277
[1-(isocyanatomethyl)cyclohexyl] acetate
CID 87786975
ditert-butyl 2-(1-propa-1,2-dienylcyclohexyl)propanedioate
CID 102074043
(1-methylcyclohexyl) acetate;propane
CID 143035856
(1-ethenylcyclohexyl) propanoate
CID 21115640

Frequently Asked Questions

What is the IUPAC name of (1-propa-1,2-dienylcyclooctyl) acetate?
The IUPAC name of (1-propa-1,2-dienylcyclooctyl) acetate (CID 102074040) is (1-propa-1,2-dienylcyclooctyl) acetate.
What is the SMILES notation for (1-propa-1,2-dienylcyclooctyl) acetate?
The canonical SMILES for (1-propa-1,2-dienylcyclooctyl) acetate is C=C=CC1(OC(C)=O)CCCCCCC1.
What is the InChIKey of (1-propa-1,2-dienylcyclooctyl) acetate?
The InChIKey is ZHPZICGGPJJZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-9-13(15-12(2)14)10-7-5-4-6-8-11-13/h9H,1,4-8,10-11H2,2H3.
What are the key properties of (1-propa-1,2-dienylcyclooctyl) acetate?
(1-propa-1,2-dienylcyclooctyl) acetate has a molecular weight of 208.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propa-1,2-dienylcyclooctyl) acetate is sourced from PubChem (CID 102074040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).