2-(1,4-dioxaspiro[4.5]decan-6-yl)acetic acid

C10H16O4 — CID 10943501

IUPAC2-(1,4-dioxaspiro[4.5]decan-6-yl)acetic acid
SMILESO=C(O)CC1CCCCC12OCCO2
InChIInChI=1S/C10H16O4/c11-9(12)7-8-3-1-2-4-10(8)13-5-6-14-10/h8H,1-7H2,(H,11,12)
InChIKeyPQYIVYQHUVOZSG-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.39
Rot. Bonds2

About 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetic acid

2-(1,4-dioxaspiro[4.5]decan-6-yl)acetic acid (PubChem CID 10943501) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetic acid.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-6-yl)acetic acid
PubChem CID10943501
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-6-yl)acetic acid
SMILESO=C(O)CC1CCCCC12OCCO2
InChIInChI=1S/C10H16O4/c11-9(12)7-8-3-1-2-4-10(8)13-5-6-14-10/h8H,1-7H2,(H,11,12)
InChIKeyPQYIVYQHUVOZSG-UHFFFAOYSA-N
XLogP1.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxaspiro[4.5]decane-6-carboxylic acid
CID 322629
1,4-Dioxaspiro[4.5]decane-7-carboxylic acid
CID 567492
2-(1,4-Dioxaspiro(4.5)decan-8-yl)acetic acid
CID 15101121
1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester
CID 567526
Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 15700391
Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 372311
ethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 11458870
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 20711792
2-{1,4-Dioxaspiro[4.5]decan-6-yl}acetaldehyde
CID 75525546
Fluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 143317456
3-(1,4-Dioxaspiro[4.5]dec-6-yl)propionic acid
CID 10824710
2-{1,4-Dioxaspiro[4.4]nonan-6-yl}acetic acid
CID 86002429

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetic acid?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetic acid (CID 10943501) is 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetic acid.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetic acid?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetic acid is O=C(O)CC1CCCCC12OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetic acid?
The InChIKey is PQYIVYQHUVOZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-9(12)7-8-3-1-2-4-10(8)13-5-6-14-10/h8H,1-7H2,(H,11,12).
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetic acid?
2-(1,4-dioxaspiro[4.5]decan-6-yl)acetic acid has a molecular weight of 200.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetic acid is sourced from PubChem (CID 10943501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).