1,10-dioxaspiro[4.5]decan-6-yl 2-chlorobenzoate

C15H17ClO4 — CID 175838191

IUPAC1,10-dioxaspiro[4.5]decan-6-yl 2-chlorobenzoate
SMILESO=C(OC1CCCOC12CCCO2)c1ccccc1Cl
InChIInChI=1S/C15H17ClO4/c16-12-6-2-1-5-11(12)14(17)20-13-7-3-9-18-15(13)8-4-10-19-15/h1-2,5-6,13H,3-4,7-10H2
InChIKeyYUQRTHHRDJZNKR-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.18
Rot. Bonds2

About 1,10-dioxaspiro[4.5]decan-6-yl 2-chlorobenzoate

1,10-dioxaspiro[4.5]decan-6-yl 2-chlorobenzoate (PubChem CID 175838191) has the molecular formula C15H17ClO4 and a molecular weight of 296.75 g/mol. Its IUPAC name is 1,10-dioxaspiro[4.5]decan-6-yl 2-chlorobenzoate.

Molecular Properties

Compound Name1,10-dioxaspiro[4.5]decan-6-yl 2-chlorobenzoate
PubChem CID175838191
Molecular FormulaC15H17ClO4
Molecular Weight296.75 g/mol
Exact Mass296.08
IUPAC Name1,10-dioxaspiro[4.5]decan-6-yl 2-chlorobenzoate
SMILESO=C(OC1CCCOC12CCCO2)c1ccccc1Cl
InChIInChI=1S/C15H17ClO4/c16-12-6-2-1-5-11(12)14(17)20-13-7-3-9-18-15(13)8-4-10-19-15/h1-2,5-6,13H,3-4,7-10H2
InChIKeyYUQRTHHRDJZNKR-UHFFFAOYSA-N
XLogP3.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,10-dioxaspiro[4.5]decan-6-yl 2-chlorobenzoate?
The IUPAC name of 1,10-dioxaspiro[4.5]decan-6-yl 2-chlorobenzoate (CID 175838191) is 1,10-dioxaspiro[4.5]decan-6-yl 2-chlorobenzoate.
What is the SMILES notation for 1,10-dioxaspiro[4.5]decan-6-yl 2-chlorobenzoate?
The canonical SMILES for 1,10-dioxaspiro[4.5]decan-6-yl 2-chlorobenzoate is O=C(OC1CCCOC12CCCO2)c1ccccc1Cl.
What is the InChIKey of 1,10-dioxaspiro[4.5]decan-6-yl 2-chlorobenzoate?
The InChIKey is YUQRTHHRDJZNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO4/c16-12-6-2-1-5-11(12)14(17)20-13-7-3-9-18-15(13)8-4-10-19-15/h1-2,5-6,13H,3-4,7-10H2.
What are the key properties of 1,10-dioxaspiro[4.5]decan-6-yl 2-chlorobenzoate?
1,10-dioxaspiro[4.5]decan-6-yl 2-chlorobenzoate has a molecular weight of 296.75 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dioxaspiro[4.5]decan-6-yl 2-chlorobenzoate is sourced from PubChem (CID 175838191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).