(7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane

C9H14O2 — CID 135023786

IUPAC(7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane
SMILESC=C[C@H]1OC2(C)CCCC1O2
InChIInChI=1S/C9H14O2/c1-3-7-8-5-4-6-9(2,10-7)11-8/h3,7-8H,1,4-6H2,2H3/t7-,8?,9?/m1/s1
InChIKeyGXWHCEMNCYAUIX-AFPNSQJFSA-N
MW154.21 g/mol
LogP1.86
Rot. Bonds1

About (7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane

(7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 135023786) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane
PubChem CID135023786
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane
SMILESC=C[C@H]1OC2(C)CCCC1O2
InChIInChI=1S/C9H14O2/c1-3-7-8-5-4-6-9(2,10-7)11-8/h3,7-8H,1,4-6H2,2H3/t7-,8?,9?/m1/s1
InChIKeyGXWHCEMNCYAUIX-AFPNSQJFSA-N
XLogP1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane (CID 135023786) is (7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane is C=C[C@H]1OC2(C)CCCC1O2.
What is the InChIKey of (7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is GXWHCEMNCYAUIX-AFPNSQJFSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-7-8-5-4-6-9(2,10-7)11-8/h3,7-8H,1,4-6H2,2H3/t7-,8?,9?/m1/s1.
What are the key properties of (7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane?
(7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 154.21 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 135023786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).