2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid

C11H18O4 — CID 79899396

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
SMILESO=C(O)CC1CCOC2(CCOCC2)C1
InChIInChI=1S/C11H18O4/c12-10(13)7-9-1-4-15-11(8-9)2-5-14-6-3-11/h9H,1-8H2,(H,12,13)
InChIKeyZUNUKUPQWRWDNJ-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.44
Rot. Bonds2

About 2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid

2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid (PubChem CID 79899396) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
PubChem CID79899396
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
SMILESO=C(O)CC1CCOC2(CCOCC2)C1
InChIInChI=1S/C11H18O4/c12-10(13)7-9-1-4-15-11(8-9)2-5-14-6-3-11/h9H,1-8H2,(H,12,13)
InChIKeyZUNUKUPQWRWDNJ-UHFFFAOYSA-N
XLogP1.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9-acetyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetic acid
CID 90488086
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpropanoic acid
CID 81009039
1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79894036
2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
CID 79893611
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719
2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid
CID 99728106
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one
CID 79894030
3-(1,9-dioxaspiro[5.5]undecan-4-ylsulfinyl)propanoic acid
CID 79911733
2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone
CID 79894255
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79894570
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone
CID 116583409

Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid (CID 79899396) is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid is O=C(O)CC1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid?
The InChIKey is ZUNUKUPQWRWDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c12-10(13)7-9-1-4-15-11(8-9)2-5-14-6-3-11/h9H,1-8H2,(H,12,13).
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid?
2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid has a molecular weight of 214.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid is sourced from PubChem (CID 79899396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).