(2S,4S,6R)-2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane

C13H22O — CID 10512034

IUPAC(2S,4S,6R)-2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane
SMILESC=C1CCC[C@]2(C1)C[C@@H](C)C[C@H](C)O2
InChIInChI=1S/C13H22O/c1-10-5-4-6-13(8-10)9-11(2)7-12(3)14-13/h11-12H,1,4-9H2,2-3H3/t11-,12-,13-/m0/s1
InChIKeyUPBZNOZXQBRQRI-AVGNSLFASA-N
MW194.32 g/mol
LogP3.69
Rot. Bonds

About (2S,4S,6R)-2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane

(2S,4S,6R)-2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane (PubChem CID 10512034) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2S,4S,6R)-2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name(2S,4S,6R)-2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane
PubChem CID10512034
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2S,4S,6R)-2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane
SMILESC=C1CCC[C@]2(C1)C[C@@H](C)C[C@H](C)O2
InChIInChI=1S/C13H22O/c1-10-5-4-6-13(8-10)9-11(2)7-12(3)14-13/h11-12H,1,4-9H2,2-3H3/t11-,12-,13-/m0/s1
InChIKeyUPBZNOZXQBRQRI-AVGNSLFASA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2S,4S,6R)-2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane?
The IUPAC name of (2S,4S,6R)-2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane (CID 10512034) is (2S,4S,6R)-2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane.
What is the SMILES notation for (2S,4S,6R)-2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane?
The canonical SMILES for (2S,4S,6R)-2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane is C=C1CCC[C@]2(C1)C[C@@H](C)C[C@H](C)O2.
What is the InChIKey of (2S,4S,6R)-2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane?
The InChIKey is UPBZNOZXQBRQRI-AVGNSLFASA-N. The full InChI is InChI=1S/C13H22O/c1-10-5-4-6-13(8-10)9-11(2)7-12(3)14-13/h11-12H,1,4-9H2,2-3H3/t11-,12-,13-/m0/s1.
What are the key properties of (2S,4S,6R)-2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane?
(2S,4S,6R)-2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane has a molecular weight of 194.32 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6R)-2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 10512034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).