(2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine

C13H22O2 — CID 134950601

IUPAC(2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine
SMILESC[C@@H]1CCC=C[C@@H](OC2CCCCC2)O1
InChIInChI=1S/C13H22O2/c1-11-7-5-6-10-13(14-11)15-12-8-3-2-4-9-12/h6,10-13H,2-5,7-9H2,1H3/t11-,13-/m1/s1
InChIKeyJYQMSRGDLGARMZ-DGCLKSJQSA-N
MW210.32 g/mol
LogP3.42
Rot. Bonds2

About (2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine

(2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine (PubChem CID 134950601) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine.

Molecular Properties

Compound Name(2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine
PubChem CID134950601
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine
SMILESC[C@@H]1CCC=C[C@@H](OC2CCCCC2)O1
InChIInChI=1S/C13H22O2/c1-11-7-5-6-10-13(14-11)15-12-8-3-2-4-9-12/h6,10-13H,2-5,7-9H2,1H3/t11-,13-/m1/s1
InChIKeyJYQMSRGDLGARMZ-DGCLKSJQSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine?
The IUPAC name of (2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine (CID 134950601) is (2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine.
What is the SMILES notation for (2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine?
The canonical SMILES for (2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine is C[C@@H]1CCC=C[C@@H](OC2CCCCC2)O1.
What is the InChIKey of (2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine?
The InChIKey is JYQMSRGDLGARMZ-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H22O2/c1-11-7-5-6-10-13(14-11)15-12-8-3-2-4-9-12/h6,10-13H,2-5,7-9H2,1H3/t11-,13-/m1/s1.
What are the key properties of (2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine?
(2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine has a molecular weight of 210.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine is sourced from PubChem (CID 134950601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).