4-cyclohexyl-4,7-dihydro-1,3-dioxepine

C11H18O2 — CID 135085685

IUPAC4-cyclohexyl-4,7-dihydro-1,3-dioxepine
SMILESC1=CC(C2CCCCC2)OCOC1
InChIInChI=1S/C11H18O2/c1-2-5-10(6-3-1)11-7-4-8-12-9-13-11/h4,7,10-11H,1-3,5-6,8-9H2
InChIKeyAOBMWTIRCNUZTK-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.50
Rot. Bonds1

About 4-cyclohexyl-4,7-dihydro-1,3-dioxepine

4-cyclohexyl-4,7-dihydro-1,3-dioxepine (PubChem CID 135085685) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-cyclohexyl-4,7-dihydro-1,3-dioxepine.

Molecular Properties

Compound Name4-cyclohexyl-4,7-dihydro-1,3-dioxepine
PubChem CID135085685
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-cyclohexyl-4,7-dihydro-1,3-dioxepine
SMILESC1=CC(C2CCCCC2)OCOC1
InChIInChI=1S/C11H18O2/c1-2-5-10(6-3-1)11-7-4-8-12-9-13-11/h4,7,10-11H,1-3,5-6,8-9H2
InChIKeyAOBMWTIRCNUZTK-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.50
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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5-Methyl-3-[(3-methylcyclohexyl)oxymethoxy]cyclohexene
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methyl [(2E)-6-methylcyclooct-2-en-1-yl] carbonate
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3-[1-[(4-Methylcyclohexyl)methoxy]ethoxy]cyclohexene
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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4,7-dihydro-1,3-dioxepine?
The IUPAC name of 4-cyclohexyl-4,7-dihydro-1,3-dioxepine (CID 135085685) is 4-cyclohexyl-4,7-dihydro-1,3-dioxepine.
What is the SMILES notation for 4-cyclohexyl-4,7-dihydro-1,3-dioxepine?
The canonical SMILES for 4-cyclohexyl-4,7-dihydro-1,3-dioxepine is C1=CC(C2CCCCC2)OCOC1.
What is the InChIKey of 4-cyclohexyl-4,7-dihydro-1,3-dioxepine?
The InChIKey is AOBMWTIRCNUZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-5-10(6-3-1)11-7-4-8-12-9-13-11/h4,7,10-11H,1-3,5-6,8-9H2.
What are the key properties of 4-cyclohexyl-4,7-dihydro-1,3-dioxepine?
4-cyclohexyl-4,7-dihydro-1,3-dioxepine has a molecular weight of 182.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4,7-dihydro-1,3-dioxepine is sourced from PubChem (CID 135085685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).