(2R,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene

C15H24O — CID 162990845

IUPAC(2R,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene
SMILESC=C(C)CCC[C@@]1(C)O[C@]12CC=C(C)CC2
InChIInChI=1S/C15H24O/c1-12(2)6-5-9-14(4)15(16-14)10-7-13(3)8-11-15/h7H,1,5-6,8-11H2,2-4H3/t14-,15+/m1/s1
InChIKeyCXUNYWSOIZUEAV-CABCVRRESA-N
MW220.36 g/mol
LogP4.39
Rot. Bonds4

About (2R,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene

(2R,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene (PubChem CID 162990845) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2R,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene.

Molecular Properties

Compound Name(2R,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene
PubChem CID162990845
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2R,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene
SMILESC=C(C)CCC[C@@]1(C)O[C@]12CC=C(C)CC2
InChIInChI=1S/C15H24O/c1-12(2)6-5-9-14(4)15(16-14)10-7-13(3)8-11-15/h7H,1,5-6,8-11H2,2-4H3/t14-,15+/m1/s1
InChIKeyCXUNYWSOIZUEAV-CABCVRRESA-N
XLogP4.39
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene?
The IUPAC name of (2R,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene (CID 162990845) is (2R,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene.
What is the SMILES notation for (2R,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene?
The canonical SMILES for (2R,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene is C=C(C)CCC[C@@]1(C)O[C@]12CC=C(C)CC2.
What is the InChIKey of (2R,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene?
The InChIKey is CXUNYWSOIZUEAV-CABCVRRESA-N. The full InChI is InChI=1S/C15H24O/c1-12(2)6-5-9-14(4)15(16-14)10-7-13(3)8-11-15/h7H,1,5-6,8-11H2,2-4H3/t14-,15+/m1/s1.
What are the key properties of (2R,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene?
(2R,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene has a molecular weight of 220.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,6-dimethyl-2-(4-methylpent-4-enyl)-1-oxaspiro[2.5]oct-5-ene is sourced from PubChem (CID 162990845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).