(5R,6R,8S)-6,8-dimethyl-1,10-dioxaspiro[4.5]dec-2-ene

C10H16O2 — CID 10654675

IUPAC(5R,6R,8S)-6,8-dimethyl-1,10-dioxaspiro[4.5]dec-2-ene
SMILESC[C@@H]1CO[C@@]2(CC=CO2)[C@H](C)C1
InChIInChI=1S/C10H16O2/c1-8-6-9(2)10(12-7-8)4-3-5-11-10/h3,5,8-9H,4,6-7H2,1-2H3/t8-,9+,10-/m0/s1
InChIKeyDILJQYLPVYNTPU-AEJSXWLSSA-N
MW168.24 g/mol
LogP2.31
Rot. Bonds

About (5R,6R,8S)-6,8-dimethyl-1,10-dioxaspiro[4.5]dec-2-ene

(5R,6R,8S)-6,8-dimethyl-1,10-dioxaspiro[4.5]dec-2-ene (PubChem CID 10654675) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (5R,6R,8S)-6,8-dimethyl-1,10-dioxaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name(5R,6R,8S)-6,8-dimethyl-1,10-dioxaspiro[4.5]dec-2-ene
PubChem CID10654675
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(5R,6R,8S)-6,8-dimethyl-1,10-dioxaspiro[4.5]dec-2-ene
SMILESC[C@@H]1CO[C@@]2(CC=CO2)[C@H](C)C1
InChIInChI=1S/C10H16O2/c1-8-6-9(2)10(12-7-8)4-3-5-11-10/h3,5,8-9H,4,6-7H2,1-2H3/t8-,9+,10-/m0/s1
InChIKeyDILJQYLPVYNTPU-AEJSXWLSSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,6R,8S)-6,8-dimethyl-1,10-dioxaspiro[4.5]dec-2-ene?
The IUPAC name of (5R,6R,8S)-6,8-dimethyl-1,10-dioxaspiro[4.5]dec-2-ene (CID 10654675) is (5R,6R,8S)-6,8-dimethyl-1,10-dioxaspiro[4.5]dec-2-ene.
What is the SMILES notation for (5R,6R,8S)-6,8-dimethyl-1,10-dioxaspiro[4.5]dec-2-ene?
The canonical SMILES for (5R,6R,8S)-6,8-dimethyl-1,10-dioxaspiro[4.5]dec-2-ene is C[C@@H]1CO[C@@]2(CC=CO2)[C@H](C)C1.
What is the InChIKey of (5R,6R,8S)-6,8-dimethyl-1,10-dioxaspiro[4.5]dec-2-ene?
The InChIKey is DILJQYLPVYNTPU-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-6-9(2)10(12-7-8)4-3-5-11-10/h3,5,8-9H,4,6-7H2,1-2H3/t8-,9+,10-/m0/s1.
What are the key properties of (5R,6R,8S)-6,8-dimethyl-1,10-dioxaspiro[4.5]dec-2-ene?
(5R,6R,8S)-6,8-dimethyl-1,10-dioxaspiro[4.5]dec-2-ene has a molecular weight of 168.24 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,8S)-6,8-dimethyl-1,10-dioxaspiro[4.5]dec-2-ene is sourced from PubChem (CID 10654675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).