3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid

C12H20O4 — CID 59540758

IUPAC3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid
SMILESCC1(C)COC2(CCC(C)(C(=O)O)C2)OC1
InChIInChI=1S/C12H20O4/c1-10(2)7-15-12(16-8-10)5-4-11(3,6-12)9(13)14/h4-8H2,1-3H3,(H,13,14)
InChIKeyGUQUVTXNKWPPKP-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.03
Rot. Bonds1

About 3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid

3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid (PubChem CID 59540758) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid
PubChem CID59540758
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid
SMILESCC1(C)COC2(CCC(C)(C(=O)O)C2)OC1
InChIInChI=1S/C12H20O4/c1-10(2)7-15-12(16-8-10)5-4-11(3,6-12)9(13)14/h4-8H2,1-3H3,(H,13,14)
InChIKeyGUQUVTXNKWPPKP-UHFFFAOYSA-N
XLogP2.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid (CID 59540758) is 3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid is CC1(C)COC2(CCC(C)(C(=O)O)C2)OC1.
What is the InChIKey of 3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is GUQUVTXNKWPPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-10(2)7-15-12(16-8-10)5-4-11(3,6-12)9(13)14/h4-8H2,1-3H3,(H,13,14).
What are the key properties of 3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid?
3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 59540758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).