(1-hydroxycyclooctyl) acetate

C10H18O3 — CID 91039609

IUPAC(1-hydroxycyclooctyl) acetate
SMILESCC(=O)OC1(O)CCCCCCC1
InChIInChI=1S/C10H18O3/c1-9(11)13-10(12)7-5-3-2-4-6-8-10/h12H,2-8H2,1H3
InChIKeyUUOAACUDPUIJKY-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.98
Rot. Bonds1

About (1-hydroxycyclooctyl) acetate

(1-hydroxycyclooctyl) acetate (PubChem CID 91039609) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1-hydroxycyclooctyl) acetate.

Molecular Properties

Compound Name(1-hydroxycyclooctyl) acetate
PubChem CID91039609
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(1-hydroxycyclooctyl) acetate
SMILESCC(=O)OC1(O)CCCCCCC1
InChIInChI=1S/C10H18O3/c1-9(11)13-10(12)7-5-3-2-4-6-8-10/h12H,2-8H2,1H3
InChIKeyUUOAACUDPUIJKY-UHFFFAOYSA-N
XLogP1.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-hydroxycyclohexyl) hydrogen carbonate
CID 69015905
(1-hydroxy-3-methylcyclohexyl) acetate
CID 174818482
(1-propan-2-ylcyclopentyl) acetate
CID 58143154
(1-methylcyclohexyl) acetate;propane
CID 143035856
1-(1-hydroxycyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid
CID 174614637
(1-cyclohexylcyclopentyl) acetate
CID 12039389
(1-tert-butylcyclopentyl) acetate
CID 58430277
(1-prop-1-en-2-ylcyclopentyl) acetate
CID 12721513
(1-methylcyclobutyl) acetate
CID 13396130
(1-propa-1,2-dienylcyclooctyl) acetate
CID 102074040
(2,2-diacetyloxy-1-formylcyclooctyl) acetate
CID 173250012
[1-acetyloxy-2-hydroxy-2-(1-methoxyethoxy)cyclohexyl] acetate
CID 142682877

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclooctyl) acetate?
The IUPAC name of (1-hydroxycyclooctyl) acetate (CID 91039609) is (1-hydroxycyclooctyl) acetate.
What is the SMILES notation for (1-hydroxycyclooctyl) acetate?
The canonical SMILES for (1-hydroxycyclooctyl) acetate is CC(=O)OC1(O)CCCCCCC1.
What is the InChIKey of (1-hydroxycyclooctyl) acetate?
The InChIKey is UUOAACUDPUIJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(11)13-10(12)7-5-3-2-4-6-8-10/h12H,2-8H2,1H3.
What are the key properties of (1-hydroxycyclooctyl) acetate?
(1-hydroxycyclooctyl) acetate has a molecular weight of 186.25 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclooctyl) acetate is sourced from PubChem (CID 91039609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).