2-(5,8-dioxaspiro[3.5]nonan-7-yl)acetic acid

C9H14O4 — CID 155977930

IUPAC2-(5,8-dioxaspiro[3.5]nonan-7-yl)acetic acid
SMILESO=C(O)CC1COC2(CCC2)CO1
InChIInChI=1S/C9H14O4/c10-8(11)4-7-5-13-9(6-12-7)2-1-3-9/h7H,1-6H2,(H,10,11)
InChIKeyBVSPDOWLWRZPLD-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.80
Rot. Bonds2

About 2-(5,8-dioxaspiro[3.5]nonan-7-yl)acetic acid

2-(5,8-dioxaspiro[3.5]nonan-7-yl)acetic acid (PubChem CID 155977930) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(5,8-dioxaspiro[3.5]nonan-7-yl)acetic acid.

Molecular Properties

Compound Name2-(5,8-dioxaspiro[3.5]nonan-7-yl)acetic acid
PubChem CID155977930
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name2-(5,8-dioxaspiro[3.5]nonan-7-yl)acetic acid
SMILESO=C(O)CC1COC2(CCC2)CO1
InChIInChI=1S/C9H14O4/c10-8(11)4-7-5-13-9(6-12-7)2-1-3-9/h7H,1-6H2,(H,10,11)
InChIKeyBVSPDOWLWRZPLD-UHFFFAOYSA-N
XLogP0.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,8-dioxaspiro[3.5]nonan-7-yl)acetic acid?
The IUPAC name of 2-(5,8-dioxaspiro[3.5]nonan-7-yl)acetic acid (CID 155977930) is 2-(5,8-dioxaspiro[3.5]nonan-7-yl)acetic acid.
What is the SMILES notation for 2-(5,8-dioxaspiro[3.5]nonan-7-yl)acetic acid?
The canonical SMILES for 2-(5,8-dioxaspiro[3.5]nonan-7-yl)acetic acid is O=C(O)CC1COC2(CCC2)CO1.
What is the InChIKey of 2-(5,8-dioxaspiro[3.5]nonan-7-yl)acetic acid?
The InChIKey is BVSPDOWLWRZPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c10-8(11)4-7-5-13-9(6-12-7)2-1-3-9/h7H,1-6H2,(H,10,11).
What are the key properties of 2-(5,8-dioxaspiro[3.5]nonan-7-yl)acetic acid?
2-(5,8-dioxaspiro[3.5]nonan-7-yl)acetic acid has a molecular weight of 186.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-dioxaspiro[3.5]nonan-7-yl)acetic acid is sourced from PubChem (CID 155977930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).