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

C8H12O2 — CID 11029920

IUPAC(5R,7R)-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
SMILESC[C@@H]1C[C@@H](C)OC2(C=C2)O1
InChIInChI=1S/C8H12O2/c1-6-5-7(2)10-8(9-6)3-4-8/h3-4,6-7H,5H2,1-2H3/t6-,7-/m1/s1
InChIKeyHWGVOCLUOVQIGY-RNFRBKRXSA-N
MW140.18 g/mol
LogP1.47
Rot. Bonds

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

(5R,7R)-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene (PubChem CID 11029920) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (5R,7R)-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene.

Molecular Properties

Compound Name(5R,7R)-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
PubChem CID11029920
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(5R,7R)-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
SMILESC[C@@H]1C[C@@H](C)OC2(C=C2)O1
InChIInChI=1S/C8H12O2/c1-6-5-7(2)10-8(9-6)3-4-8/h3-4,6-7H,5H2,1-2H3/t6-,7-/m1/s1
InChIKeyHWGVOCLUOVQIGY-RNFRBKRXSA-N
XLogP1.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,6-Dimethyl-4,8-dioxaspiro(2.5)oct-1-ene
CID 543319
4-Methyl-2-vinyl-1,3-dioxane
CID 110896
4,8-Dioxaspiro[2.5]oct-1-ene
CID 543094
(4R,6R)-2-ethenyl-4,6-dimethyl-1,3-dioxane
CID 11819170
(4S,6R)-2-ethenyl-4,6-dimethyl-1,3-dioxane
CID 342246
m-Dioxane, 4,6-dimethyl-2-vinyl-, cis-
CID 545888
2-Ethenyl-2,4-dimethyl-1,3-dioxane
CID 69532330
4-Ethenyl-2,2-dimethyl-1,3-dioxane
CID 69532684
2-Ethenyl-2,4,6-trimethyl-1,3-dioxane
CID 164152004
5,7-Dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
CID 11094711
(4R,6R)-4-ethenyl-2,2,6-trimethyl-1,3-dioxane
CID 13741532
4-Methoxy-4-prop-2-enoxyoxane
CID 101839358

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene?
The IUPAC name of (5R,7R)-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene (CID 11029920) is (5R,7R)-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene.
What is the SMILES notation for (5R,7R)-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene?
The canonical SMILES for (5R,7R)-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene is C[C@@H]1C[C@@H](C)OC2(C=C2)O1.
What is the InChIKey of (5R,7R)-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene?
The InChIKey is HWGVOCLUOVQIGY-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-5-7(2)10-8(9-6)3-4-8/h3-4,6-7H,5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (5R,7R)-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene?
(5R,7R)-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene has a molecular weight of 140.18 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene is sourced from PubChem (CID 11029920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).