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

C10H14O2 — CID 134993268

IUPAC(1R,2R,4R,5S)-3-propan-2-yl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene
SMILESCC(C)C1[C@@H]2[C@@H]1[C@H]1C=C[C@@H]2OO1
InChIInChI=1S/C10H14O2/c1-5(2)8-9-6-3-4-7(10(8)9)12-11-6/h3-10H,1-2H3/t6-,7+,8?,9-,10-/m1/s1
InChIKeyUFOPWSGDTDMRPL-UAAUVISNSA-N
MW166.22 g/mol
LogP1.77
Rot. Bonds1

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

(1R,2R,4R,5S)-3-propan-2-yl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene (PubChem CID 134993268) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1R,2R,4R,5S)-3-propan-2-yl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene.

Molecular Properties

Compound Name(1R,2R,4R,5S)-3-propan-2-yl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene
PubChem CID134993268
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1R,2R,4R,5S)-3-propan-2-yl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene
SMILESCC(C)C1[C@@H]2[C@@H]1[C@H]1C=C[C@@H]2OO1
InChIInChI=1S/C10H14O2/c1-5(2)8-9-6-3-4-7(10(8)9)12-11-6/h3-10H,1-2H3/t6-,7+,8?,9-,10-/m1/s1
InChIKeyUFOPWSGDTDMRPL-UAAUVISNSA-N
XLogP1.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.77
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 (1R,2R,4R,5S)-3-propan-2-yl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene?
The IUPAC name of (1R,2R,4R,5S)-3-propan-2-yl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene (CID 134993268) is (1R,2R,4R,5S)-3-propan-2-yl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene.
What is the SMILES notation for (1R,2R,4R,5S)-3-propan-2-yl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene?
The canonical SMILES for (1R,2R,4R,5S)-3-propan-2-yl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene is CC(C)C1[C@@H]2[C@@H]1[C@H]1C=C[C@@H]2OO1.
What is the InChIKey of (1R,2R,4R,5S)-3-propan-2-yl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene?
The InChIKey is UFOPWSGDTDMRPL-UAAUVISNSA-N. The full InChI is InChI=1S/C10H14O2/c1-5(2)8-9-6-3-4-7(10(8)9)12-11-6/h3-10H,1-2H3/t6-,7+,8?,9-,10-/m1/s1.
What are the key properties of (1R,2R,4R,5S)-3-propan-2-yl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene?
(1R,2R,4R,5S)-3-propan-2-yl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene has a molecular weight of 166.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,5S)-3-propan-2-yl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene is sourced from PubChem (CID 134993268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).