2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid

C12H20O3 — CID 130488312

IUPAC2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid
SMILESCC1(C)CC2(CCO1)C(C(=O)O)C2(C)C
InChIInChI=1S/C12H20O3/c1-10(2)7-12(5-6-15-10)8(9(13)14)11(12,3)4/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyLGPYDPAZEPFVDH-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.30
Rot. Bonds1

About 2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid

2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid (PubChem CID 130488312) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid
PubChem CID130488312
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid
SMILESCC1(C)CC2(CCO1)C(C(=O)O)C2(C)C
InChIInChI=1S/C12H20O3/c1-10(2)7-12(5-6-15-10)8(9(13)14)11(12,3)4/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyLGPYDPAZEPFVDH-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethylspiro[2.4]heptane-1-carboxylic acid
CID 20531773
2,2-dimethyl-6,6-dioxo-6λ6-thiaspiro[2.4]heptane-1-carboxylic acid
CID 130488379
7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105359842
(2R)-2-methyloxetane-2-carboxylic acid
CID 97031044
4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid
CID 103377682
2,2-dimethyl-4-(4-methylpiperazin-1-yl)oxane-4-carboxylic acid
CID 65422707
2-[4-(diethylamino)-2,2-dimethyloxan-4-yl]acetic acid
CID 64526617
2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid
CID 97424908
2-[4-(azepan-1-yl)-2,2-dimethyloxan-4-yl]acetic acid
CID 64526749
7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 537023
2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]acetate
CID 7093191
2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol
CID 64748775

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid?
The IUPAC name of 2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid (CID 130488312) is 2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid.
What is the SMILES notation for 2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid?
The canonical SMILES for 2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid is CC1(C)CC2(CCO1)C(C(=O)O)C2(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid?
The InChIKey is LGPYDPAZEPFVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-10(2)7-12(5-6-15-10)8(9(13)14)11(12,3)4/h8H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid?
2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid is sourced from PubChem (CID 130488312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).