8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol

C18H24O3 — CID 114601416

IUPAC8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2cccc(C3CCC3)c2)CCC2(CC1)OCCO2
InChIInChI=1S/C18H24O3/c19-17(7-9-18(10-8-17)20-11-12-21-18)16-6-2-5-15(13-16)14-3-1-4-14/h2,5-6,13-14,19H,1,3-4,7-12H2
InChIKeyTZHZVUYNMUSDJL-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.46
Rot. Bonds2

About 8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol

8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 114601416) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID114601416
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2cccc(C3CCC3)c2)CCC2(CC1)OCCO2
InChIInChI=1S/C18H24O3/c19-17(7-9-18(10-8-17)20-11-12-21-18)16-6-2-5-15(13-16)14-3-1-4-14/h2,5-6,13-14,19H,1,3-4,7-12H2
InChIKeyTZHZVUYNMUSDJL-UHFFFAOYSA-N
XLogP3.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 114601416) is 8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol is OC1(c2cccc(C3CCC3)c2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is TZHZVUYNMUSDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c19-17(7-9-18(10-8-17)20-11-12-21-18)16-6-2-5-15(13-16)14-3-1-4-14/h2,5-6,13-14,19H,1,3-4,7-12H2.
What are the key properties of 8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 288.39 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 114601416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).