(1S,2R,4R,5R)-3-methyl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene

C8H10O2 — CID 134992950

IUPAC(1S,2R,4R,5R)-3-methyl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene
SMILESCC1[C@@H]2[C@@H]1[C@H]1C=C[C@@H]2OO1
InChIInChI=1S/C8H10O2/c1-4-7-5-2-3-6(8(4)7)10-9-5/h2-8H,1H3/t4?,5-,6+,7-,8-/m0/s1
InChIKeyOVWCDKYOZPWXSH-UKKBYBOISA-N
MW138.17 g/mol
LogP1.14
Rot. Bonds

About (1S,2R,4R,5R)-3-methyl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene

(1S,2R,4R,5R)-3-methyl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene (PubChem CID 134992950) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (1S,2R,4R,5R)-3-methyl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene.

Molecular Properties

Compound Name(1S,2R,4R,5R)-3-methyl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene
PubChem CID134992950
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(1S,2R,4R,5R)-3-methyl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene
SMILESCC1[C@@H]2[C@@H]1[C@H]1C=C[C@@H]2OO1
InChIInChI=1S/C8H10O2/c1-4-7-5-2-3-6(8(4)7)10-9-5/h2-8H,1H3/t4?,5-,6+,7-,8-/m0/s1
InChIKeyOVWCDKYOZPWXSH-UKKBYBOISA-N
XLogP1.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R,5R)-3-methyl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene?
The IUPAC name of (1S,2R,4R,5R)-3-methyl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene (CID 134992950) is (1S,2R,4R,5R)-3-methyl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene.
What is the SMILES notation for (1S,2R,4R,5R)-3-methyl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene?
The canonical SMILES for (1S,2R,4R,5R)-3-methyl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene is CC1[C@@H]2[C@@H]1[C@H]1C=C[C@@H]2OO1.
What is the InChIKey of (1S,2R,4R,5R)-3-methyl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene?
The InChIKey is OVWCDKYOZPWXSH-UKKBYBOISA-N. The full InChI is InChI=1S/C8H10O2/c1-4-7-5-2-3-6(8(4)7)10-9-5/h2-8H,1H3/t4?,5-,6+,7-,8-/m0/s1.
What are the key properties of (1S,2R,4R,5R)-3-methyl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene?
(1S,2R,4R,5R)-3-methyl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene has a molecular weight of 138.17 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R,5R)-3-methyl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene is sourced from PubChem (CID 134992950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).