2-(1,4-dimethyl-3-bicyclo[3.2.1]octanyl)-1,3-dioxolane

C13H22O2 — CID 66974039

IUPAC2-(1,4-dimethyl-3-bicyclo[3.2.1]octanyl)-1,3-dioxolane
SMILESCC1C2CCC(C)(C2)CC1C1OCCO1
InChIInChI=1S/C13H22O2/c1-9-10-3-4-13(2,7-10)8-11(9)12-14-5-6-15-12/h9-12H,3-8H2,1-2H3
InChIKeyLFZSPVPDFWSBHH-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.82
Rot. Bonds1

About 2-(1,4-dimethyl-3-bicyclo[3.2.1]octanyl)-1,3-dioxolane

2-(1,4-dimethyl-3-bicyclo[3.2.1]octanyl)-1,3-dioxolane (PubChem CID 66974039) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(1,4-dimethyl-3-bicyclo[3.2.1]octanyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(1,4-dimethyl-3-bicyclo[3.2.1]octanyl)-1,3-dioxolane
PubChem CID66974039
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(1,4-dimethyl-3-bicyclo[3.2.1]octanyl)-1,3-dioxolane
SMILESCC1C2CCC(C)(C2)CC1C1OCCO1
InChIInChI=1S/C13H22O2/c1-9-10-3-4-13(2,7-10)8-11(9)12-14-5-6-15-12/h9-12H,3-8H2,1-2H3
InChIKeyLFZSPVPDFWSBHH-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethyl-3-bicyclo[3.2.1]octanyl)-1,3-dioxolane?
The IUPAC name of 2-(1,4-dimethyl-3-bicyclo[3.2.1]octanyl)-1,3-dioxolane (CID 66974039) is 2-(1,4-dimethyl-3-bicyclo[3.2.1]octanyl)-1,3-dioxolane.
What is the SMILES notation for 2-(1,4-dimethyl-3-bicyclo[3.2.1]octanyl)-1,3-dioxolane?
The canonical SMILES for 2-(1,4-dimethyl-3-bicyclo[3.2.1]octanyl)-1,3-dioxolane is CC1C2CCC(C)(C2)CC1C1OCCO1.
What is the InChIKey of 2-(1,4-dimethyl-3-bicyclo[3.2.1]octanyl)-1,3-dioxolane?
The InChIKey is LFZSPVPDFWSBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9-10-3-4-13(2,7-10)8-11(9)12-14-5-6-15-12/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-(1,4-dimethyl-3-bicyclo[3.2.1]octanyl)-1,3-dioxolane?
2-(1,4-dimethyl-3-bicyclo[3.2.1]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-(1,4-dimethyl-3-bicyclo[3.2.1]octanyl)-1,3-dioxolane is sourced from PubChem (CID 66974039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).