4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzene-1,2-diol

C14H18O5 — CID 70843882

IUPAC4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzene-1,2-diol
SMILESOc1ccc(OC2CCC3(CC2)OCCO3)cc1O
InChIInChI=1S/C14H18O5/c15-12-2-1-11(9-13(12)16)19-10-3-5-14(6-4-10)17-7-8-18-14/h1-2,9-10,15-16H,3-8H2
InChIKeySVGKXTXOPQERLF-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.16
Rot. Bonds2

About 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzene-1,2-diol

4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzene-1,2-diol (PubChem CID 70843882) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzene-1,2-diol.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzene-1,2-diol
PubChem CID70843882
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzene-1,2-diol
SMILESOc1ccc(OC2CCC3(CC2)OCCO3)cc1O
InChIInChI=1S/C14H18O5/c15-12-2-1-11(9-13(12)16)19-10-3-5-14(6-4-10)17-7-8-18-14/h1-2,9-10,15-16H,3-8H2
InChIKeySVGKXTXOPQERLF-UHFFFAOYSA-N
XLogP2.16
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzene-1,2-diol?
The IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzene-1,2-diol (CID 70843882) is 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzene-1,2-diol.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzene-1,2-diol?
The canonical SMILES for 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzene-1,2-diol is Oc1ccc(OC2CCC3(CC2)OCCO3)cc1O.
What is the InChIKey of 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzene-1,2-diol?
The InChIKey is SVGKXTXOPQERLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c15-12-2-1-11(9-13(12)16)19-10-3-5-14(6-4-10)17-7-8-18-14/h1-2,9-10,15-16H,3-8H2.
What are the key properties of 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzene-1,2-diol?
4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzene-1,2-diol has a molecular weight of 266.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzene-1,2-diol is sourced from PubChem (CID 70843882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).