(3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid

C11H18O4 — CID 15227852

IUPAC(3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid
SMILESCC1(C)COC2(CC[C@@H](C(=O)O)C2)OC1
InChIInChI=1S/C11H18O4/c1-10(2)6-14-11(15-7-10)4-3-8(5-11)9(12)13/h8H,3-7H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyKAUAVLRCOZZFLP-MRVPVSSYSA-N
MW214.26 g/mol
LogP1.64
Rot. Bonds1

About (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid

(3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid (PubChem CID 15227852) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid
PubChem CID15227852
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid
SMILESCC1(C)COC2(CC[C@@H](C(=O)O)C2)OC1
InChIInChI=1S/C11H18O4/c1-10(2)6-14-11(15-7-10)4-3-8(5-11)9(12)13/h8H,3-7H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyKAUAVLRCOZZFLP-MRVPVSSYSA-N
XLogP1.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid (CID 15227852) is (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid is CC1(C)COC2(CC[C@@H](C(=O)O)C2)OC1.
What is the InChIKey of (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is KAUAVLRCOZZFLP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18O4/c1-10(2)6-14-11(15-7-10)4-3-8(5-11)9(12)13/h8H,3-7H2,1-2H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid?
(3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 15227852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).