(5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene

C10H16O2 — CID 14788910

IUPAC(5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
SMILESCCC1=CC12O[C@H](C)C[C@@H](C)O2
InChIInChI=1S/C10H16O2/c1-4-9-6-10(9)11-7(2)5-8(3)12-10/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyUTTAERIYLJDSJD-HTQZYQBOSA-N
MW168.24 g/mol
LogP2.25
Rot. Bonds1

About (5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene

(5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene (PubChem CID 14788910) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene.

Molecular Properties

Compound Name(5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
PubChem CID14788910
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
SMILESCCC1=CC12O[C@H](C)C[C@@H](C)O2
InChIInChI=1S/C10H16O2/c1-4-9-6-10(9)11-7(2)5-8(3)12-10/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyUTTAERIYLJDSJD-HTQZYQBOSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 (5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene?
The IUPAC name of (5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene (CID 14788910) is (5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene.
What is the SMILES notation for (5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene?
The canonical SMILES for (5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene is CCC1=CC12O[C@H](C)C[C@@H](C)O2.
What is the InChIKey of (5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene?
The InChIKey is UTTAERIYLJDSJD-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-9-6-10(9)11-7(2)5-8(3)12-10/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene?
(5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene has a molecular weight of 168.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene is sourced from PubChem (CID 14788910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).