2-[(1R,6S,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]-1,3-dioxolane

C13H22O2 — CID 134963710

IUPAC2-[(1R,6S,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]-1,3-dioxolane
SMILESCC1(C)[C@@H]2CCCC[C@@H]2[C@H]1C1OCCO1
InChIInChI=1S/C13H22O2/c1-13(2)10-6-4-3-5-9(10)11(13)12-14-7-8-15-12/h9-12H,3-8H2,1-2H3/t9-,10+,11-/m0/s1
InChIKeyFJQLTRIRDMFITR-AXFHLTTASA-N
MW210.32 g/mol
LogP2.82
Rot. Bonds1

About 2-[(1R,6S,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]-1,3-dioxolane

2-[(1R,6S,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]-1,3-dioxolane (PubChem CID 134963710) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[(1R,6S,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(1R,6S,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]-1,3-dioxolane
PubChem CID134963710
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-[(1R,6S,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]-1,3-dioxolane
SMILESCC1(C)[C@@H]2CCCC[C@@H]2[C@H]1C1OCCO1
InChIInChI=1S/C13H22O2/c1-13(2)10-6-4-3-5-9(10)11(13)12-14-7-8-15-12/h9-12H,3-8H2,1-2H3/t9-,10+,11-/m0/s1
InChIKeyFJQLTRIRDMFITR-AXFHLTTASA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(1R,6S,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]-1,3-dioxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,6S,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]-1,3-dioxolane?
The IUPAC name of 2-[(1R,6S,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]-1,3-dioxolane (CID 134963710) is 2-[(1R,6S,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(1R,6S,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]-1,3-dioxolane?
The canonical SMILES for 2-[(1R,6S,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]-1,3-dioxolane is CC1(C)[C@@H]2CCCC[C@@H]2[C@H]1C1OCCO1.
What is the InChIKey of 2-[(1R,6S,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]-1,3-dioxolane?
The InChIKey is FJQLTRIRDMFITR-AXFHLTTASA-N. The full InChI is InChI=1S/C13H22O2/c1-13(2)10-6-4-3-5-9(10)11(13)12-14-7-8-15-12/h9-12H,3-8H2,1-2H3/t9-,10+,11-/m0/s1.
What are the key properties of 2-[(1R,6S,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]-1,3-dioxolane?
2-[(1R,6S,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]-1,3-dioxolane has a molecular weight of 210.32 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,6S,7R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]-1,3-dioxolane is sourced from PubChem (CID 134963710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).