(5S,7R)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane

C8H14O2 — CID 59469426

IUPAC(5S,7R)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane
SMILESC[C@@H]1CC2(CO2)C[C@H](C)O1
InChIInChI=1S/C8H14O2/c1-6-3-8(5-9-8)4-7(2)10-6/h6-7H,3-5H2,1-2H3/t6-,7+,8?
InChIKeyZAYWRTXTXOAQCL-DHBOJHSNSA-N
MW142.20 g/mol
LogP1.34
Rot. Bonds

About (5S,7R)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane

(5S,7R)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane (PubChem CID 59469426) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (5S,7R)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name(5S,7R)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane
PubChem CID59469426
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(5S,7R)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane
SMILESC[C@@H]1CC2(CO2)C[C@H](C)O1
InChIInChI=1S/C8H14O2/c1-6-3-8(5-9-8)4-7(2)10-6/h6-7H,3-5H2,1-2H3/t6-,7+,8?
InChIKeyZAYWRTXTXOAQCL-DHBOJHSNSA-N
XLogP1.34
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane?
The IUPAC name of (5S,7R)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane (CID 59469426) is (5S,7R)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane.
What is the SMILES notation for (5S,7R)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane?
The canonical SMILES for (5S,7R)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane is C[C@@H]1CC2(CO2)C[C@H](C)O1.
What is the InChIKey of (5S,7R)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane?
The InChIKey is ZAYWRTXTXOAQCL-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-3-8(5-9-8)4-7(2)10-6/h6-7H,3-5H2,1-2H3/t6-,7+,8?.
What are the key properties of (5S,7R)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane?
(5S,7R)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane has a molecular weight of 142.20 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane is sourced from PubChem (CID 59469426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).