7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

C10H16O4 — CID 59299324

IUPAC7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESCC1CC2(CCC1C(=O)O)OCCO2
InChIInChI=1S/C10H16O4/c1-7-6-10(13-4-5-14-10)3-2-8(7)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyIVOFHXHUQNMGGW-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.25
Rot. Bonds1

About 7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (PubChem CID 59299324) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
PubChem CID59299324
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESCC1CC2(CCC1C(=O)O)OCCO2
InChIInChI=1S/C10H16O4/c1-7-6-10(13-4-5-14-10)3-2-8(7)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyIVOFHXHUQNMGGW-UHFFFAOYSA-N
XLogP1.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1,4-dioxaspiro(4.5)decane-8-carboxylate
CID 10488810
Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 10845708
Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate
CID 3791580
1,4-Dioxaspiro[4.5]decane-8-carboxylic acid
CID 11745334
8-Methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 22591379
methyl 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]acetate
CID 11506757
Ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate
CID 10562135
dimethyl 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate
CID 67511086
Dimethyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanedioate
CID 67511089
2,2-Dimethylhexahydrofuro[3,4-f][1,3]benzodioxol-5(3aH)-one
CID 369600
8-Fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 130068044
4,4-Diethoxy-2-ethyl-1-fluorocyclohexane-1-carboxylic acid
CID 166771827

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (CID 59299324) is 7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid is CC1CC2(CCC1C(=O)O)OCCO2.
What is the InChIKey of 7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is IVOFHXHUQNMGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-7-6-10(13-4-5-14-10)3-2-8(7)9(11)12/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of 7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 59299324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).