8-(4-chlorophenyl)-1,7,9-trioxaspiro[4.5]decane

C13H15ClO3 — CID 134094478

IUPAC8-(4-chlorophenyl)-1,7,9-trioxaspiro[4.5]decane
SMILESClc1ccc(C2OCC3(CCCO3)CO2)cc1
InChIInChI=1S/C13H15ClO3/c14-11-4-2-10(3-5-11)12-15-8-13(9-16-12)6-1-7-17-13/h2-5,12H,1,6-9H2
InChIKeyQKXTZZCWFNCUMK-UHFFFAOYSA-N
MW254.71 g/mol
LogP2.93
Rot. Bonds1

About 8-(4-chlorophenyl)-1,7,9-trioxaspiro[4.5]decane

8-(4-chlorophenyl)-1,7,9-trioxaspiro[4.5]decane (PubChem CID 134094478) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-1,7,9-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-chlorophenyl)-1,7,9-trioxaspiro[4.5]decane
PubChem CID134094478
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name8-(4-chlorophenyl)-1,7,9-trioxaspiro[4.5]decane
SMILESClc1ccc(C2OCC3(CCCO3)CO2)cc1
InChIInChI=1S/C13H15ClO3/c14-11-4-2-10(3-5-11)12-15-8-13(9-16-12)6-1-7-17-13/h2-5,12H,1,6-9H2
InChIKeyQKXTZZCWFNCUMK-UHFFFAOYSA-N
XLogP2.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-4,7-dihydro-1,3-dioxepine
CID 12562263
2-(4-chlorophenyl)-5-methyl-5-nitro-1,3-dioxane
CID 23884
2-(4-chlorophenyl)-2-methyloxolane
CID 56963782
(1'S,4'S)-2-(4-chlorophenyl)spiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
CID 11150082
(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane
CID 71365494
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669
2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane
CID 586240
(2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane
CID 915634
N-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
CID 97374273
2-(4-chlorophenyl)-4-methylidene-1,3-dioxepane
CID 86198264
3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane
CID 56927325
(2R)-2-(4-chlorophenyl)oxolane
CID 54328866

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-1,7,9-trioxaspiro[4.5]decane?
The IUPAC name of 8-(4-chlorophenyl)-1,7,9-trioxaspiro[4.5]decane (CID 134094478) is 8-(4-chlorophenyl)-1,7,9-trioxaspiro[4.5]decane.
What is the SMILES notation for 8-(4-chlorophenyl)-1,7,9-trioxaspiro[4.5]decane?
The canonical SMILES for 8-(4-chlorophenyl)-1,7,9-trioxaspiro[4.5]decane is Clc1ccc(C2OCC3(CCCO3)CO2)cc1.
What is the InChIKey of 8-(4-chlorophenyl)-1,7,9-trioxaspiro[4.5]decane?
The InChIKey is QKXTZZCWFNCUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c14-11-4-2-10(3-5-11)12-15-8-13(9-16-12)6-1-7-17-13/h2-5,12H,1,6-9H2.
What are the key properties of 8-(4-chlorophenyl)-1,7,9-trioxaspiro[4.5]decane?
8-(4-chlorophenyl)-1,7,9-trioxaspiro[4.5]decane has a molecular weight of 254.71 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-1,7,9-trioxaspiro[4.5]decane is sourced from PubChem (CID 134094478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).