(6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylic acid

C12H18O4 — CID 178107253

IUPAC(6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylic acid
SMILESC=CC[C@]1(C(=O)O)CCCCC12OCCO2
InChIInChI=1S/C12H18O4/c1-2-5-11(10(13)14)6-3-4-7-12(11)15-8-9-16-12/h2H,1,3-9H2,(H,13,14)/t11-/m1/s1
InChIKeyXYUNMLRDQCAPRA-LLVKDONJSA-N
MW226.27 g/mol
LogP1.95
Rot. Bonds3

About (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylic acid

(6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylic acid (PubChem CID 178107253) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylic acid.

Molecular Properties

Compound Name(6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylic acid
PubChem CID178107253
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylic acid
SMILESC=CC[C@]1(C(=O)O)CCCCC12OCCO2
InChIInChI=1S/C12H18O4/c1-2-5-11(10(13)14)6-3-4-7-12(11)15-8-9-16-12/h2H,1,3-9H2,(H,13,14)/t11-/m1/s1
InChIKeyXYUNMLRDQCAPRA-LLVKDONJSA-N
XLogP1.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylic acid?
The IUPAC name of (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylic acid (CID 178107253) is (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylic acid.
What is the SMILES notation for (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylic acid?
The canonical SMILES for (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylic acid is C=CC[C@]1(C(=O)O)CCCCC12OCCO2.
What is the InChIKey of (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylic acid?
The InChIKey is XYUNMLRDQCAPRA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18O4/c1-2-5-11(10(13)14)6-3-4-7-12(11)15-8-9-16-12/h2H,1,3-9H2,(H,13,14)/t11-/m1/s1.
What are the key properties of (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylic acid?
(6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylic acid has a molecular weight of 226.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylic acid is sourced from PubChem (CID 178107253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).