4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane

C13H22O2 — CID 168932661

IUPAC4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane
SMILESCOC1OC(C)(C)CC1C1=CCCCC1
InChIInChI=1S/C13H22O2/c1-13(2)9-11(12(14-3)15-13)10-7-5-4-6-8-10/h7,11-12H,4-6,8-9H2,1-3H3
InChIKeyFDCVEDQXTNOOTD-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.27
Rot. Bonds2

About 4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane

4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane (PubChem CID 168932661) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane
PubChem CID168932661
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane
SMILESCOC1OC(C)(C)CC1C1=CCCCC1
InChIInChI=1S/C13H22O2/c1-13(2)9-11(12(14-3)15-13)10-7-5-4-6-8-10/h7,11-12H,4-6,8-9H2,1-3H3
InChIKeyFDCVEDQXTNOOTD-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.27
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 4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane?
The IUPAC name of 4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane (CID 168932661) is 4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane.
What is the SMILES notation for 4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane?
The canonical SMILES for 4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane is COC1OC(C)(C)CC1C1=CCCCC1.
What is the InChIKey of 4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane?
The InChIKey is FDCVEDQXTNOOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-13(2)9-11(12(14-3)15-13)10-7-5-4-6-8-10/h7,11-12H,4-6,8-9H2,1-3H3.
What are the key properties of 4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane?
4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane has a molecular weight of 210.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane is sourced from PubChem (CID 168932661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).