(2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane

C13H22O — CID 56843547

IUPAC(2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane
SMILESC=C1CCCC(C)(C)[C@@]12CC[C@@H](C)O2
InChIInChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h11H,1,5-9H2,2-4H3/t11-,13-/m1/s1
InChIKeyOAYYYAODRCSGEL-DGCLKSJQSA-N
MW194.32 g/mol
LogP3.69
Rot. Bonds

About (2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane

(2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane (PubChem CID 56843547) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name(2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane
PubChem CID56843547
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane
SMILESC=C1CCCC(C)(C)[C@@]12CC[C@@H](C)O2
InChIInChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h11H,1,5-9H2,2-4H3/t11-,13-/m1/s1
InChIKeyOAYYYAODRCSGEL-DGCLKSJQSA-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 (2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane?
The IUPAC name of (2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane (CID 56843547) is (2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane.
What is the SMILES notation for (2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane?
The canonical SMILES for (2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane is C=C1CCCC(C)(C)[C@@]12CC[C@@H](C)O2.
What is the InChIKey of (2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane?
The InChIKey is OAYYYAODRCSGEL-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h11H,1,5-9H2,2-4H3/t11-,13-/m1/s1.
What are the key properties of (2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane?
(2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane 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 (2R,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane is sourced from PubChem (CID 56843547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).