7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid

C11H18O3 — CID 165459999

IUPAC7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid
SMILESCC1CCCC2(C1)OCCC2C(=O)O
InChIInChI=1S/C11H18O3/c1-8-3-2-5-11(7-8)9(10(12)13)4-6-14-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyDHXDIZHQVAJTJJ-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds1

About 7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid

7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid (PubChem CID 165459999) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid
PubChem CID165459999
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid
SMILESCC1CCCC2(C1)OCCC2C(=O)O
InChIInChI=1S/C11H18O3/c1-8-3-2-5-11(7-8)9(10(12)13)4-6-14-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyDHXDIZHQVAJTJJ-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid (CID 165459999) is 7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid is CC1CCCC2(C1)OCCC2C(=O)O.
What is the InChIKey of 7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is DHXDIZHQVAJTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-8-3-2-5-11(7-8)9(10(12)13)4-6-14-11/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of 7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid?
7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 198.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 165459999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).