2-(cyclohexen-1-ylmethoxymethyl)oxane

C13H22O2 — CID 126667406

IUPAC2-(cyclohexen-1-ylmethoxymethyl)oxane
SMILESC1=C(COCC2CCCCO2)CCCC1
InChIInChI=1S/C13H22O2/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h6,13H,1-5,7-11H2
InChIKeyVYRPWRSWAGQJCR-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.07
Rot. Bonds4

About 2-(cyclohexen-1-ylmethoxymethyl)oxane

2-(cyclohexen-1-ylmethoxymethyl)oxane (PubChem CID 126667406) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(cyclohexen-1-ylmethoxymethyl)oxane.

Molecular Properties

Compound Name2-(cyclohexen-1-ylmethoxymethyl)oxane
PubChem CID126667406
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(cyclohexen-1-ylmethoxymethyl)oxane
SMILESC1=C(COCC2CCCCO2)CCCC1
InChIInChI=1S/C13H22O2/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h6,13H,1-5,7-11H2
InChIKeyVYRPWRSWAGQJCR-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.07
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 2-(cyclohexen-1-ylmethoxymethyl)oxane?
The IUPAC name of 2-(cyclohexen-1-ylmethoxymethyl)oxane (CID 126667406) is 2-(cyclohexen-1-ylmethoxymethyl)oxane.
What is the SMILES notation for 2-(cyclohexen-1-ylmethoxymethyl)oxane?
The canonical SMILES for 2-(cyclohexen-1-ylmethoxymethyl)oxane is C1=C(COCC2CCCCO2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-ylmethoxymethyl)oxane?
The InChIKey is VYRPWRSWAGQJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h6,13H,1-5,7-11H2.
What are the key properties of 2-(cyclohexen-1-ylmethoxymethyl)oxane?
2-(cyclohexen-1-ylmethoxymethyl)oxane has a molecular weight of 210.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-ylmethoxymethyl)oxane is sourced from PubChem (CID 126667406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).