(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene

C10H16O2 — CID 13297721

IUPAC(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC[C@H]1OC2(C=CCCC2)O[C@@H]1C
InChIInChI=1S/C10H16O2/c1-8-9(2)12-10(11-8)6-4-3-5-7-10/h4,6,8-9H,3,5,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyXPHCZOYGPSSYTI-RKDXNWHRSA-N
MW168.24 g/mol
LogP2.25
Rot. Bonds

About (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene

(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 13297721) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID13297721
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC[C@H]1OC2(C=CCCC2)O[C@@H]1C
InChIInChI=1S/C10H16O2/c1-8-9(2)12-10(11-8)6-4-3-5-7-10/h4,6,8-9H,3,5,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyXPHCZOYGPSSYTI-RKDXNWHRSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene (CID 13297721) is (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene is C[C@H]1OC2(C=CCCC2)O[C@@H]1C.
What is the InChIKey of (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is XPHCZOYGPSSYTI-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-9(2)12-10(11-8)6-4-3-5-7-10/h4,6,8-9H,3,5,7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 168.24 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 13297721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).