3-(cyclohexylidenemethoxy)oxepane

C13H22O2 — CID 176603299

IUPAC3-(cyclohexylidenemethoxy)oxepane
SMILESC(OC1CCCCOC1)=C1CCCCC1
InChIInChI=1S/C13H22O2/c1-2-6-12(7-3-1)10-15-13-8-4-5-9-14-11-13/h10,13H,1-9,11H2
InChIKeyHCYNIQPCTNOYJH-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.42
Rot. Bonds2

About 3-(cyclohexylidenemethoxy)oxepane

3-(cyclohexylidenemethoxy)oxepane (PubChem CID 176603299) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxy)oxepane.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxy)oxepane
PubChem CID176603299
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-(cyclohexylidenemethoxy)oxepane
SMILESC(OC1CCCCOC1)=C1CCCCC1
InChIInChI=1S/C13H22O2/c1-2-6-12(7-3-1)10-15-13-8-4-5-9-14-11-13/h10,13H,1-9,11H2
InChIKeyHCYNIQPCTNOYJH-UHFFFAOYSA-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': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-Methoxy-5-methylideneoxepane
CID 68652748
(3R)-3-methoxy-5-methylideneoxepane
CID 68652751
2-[1-(Cyclohexylidenemethoxy)ethyl]oxolane
CID 176602906
2-(Cyclohexylidenemethoxymethyl)oxolane
CID 176602984
2-[3-(Cyclohexylidenemethoxy)propyl]-1,4-dioxane
CID 176603397
3-(2-Methylprop-1-enoxy)oxepane
CID 176604228
2-(Cyclohexylidenemethoxymethyl)oxane
CID 176604786
3-(Cyclopentylidenemethoxy)oxepane
CID 176605011
2-(Cyclohexylidenemethoxymethyl)oxepane
CID 176605291

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethoxy)oxepane?
The IUPAC name of 3-(cyclohexylidenemethoxy)oxepane (CID 176603299) is 3-(cyclohexylidenemethoxy)oxepane.
What is the SMILES notation for 3-(cyclohexylidenemethoxy)oxepane?
The canonical SMILES for 3-(cyclohexylidenemethoxy)oxepane is C(OC1CCCCOC1)=C1CCCCC1.
What is the InChIKey of 3-(cyclohexylidenemethoxy)oxepane?
The InChIKey is HCYNIQPCTNOYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-6-12(7-3-1)10-15-13-8-4-5-9-14-11-13/h10,13H,1-9,11H2.
What are the key properties of 3-(cyclohexylidenemethoxy)oxepane?
3-(cyclohexylidenemethoxy)oxepane 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 3-(cyclohexylidenemethoxy)oxepane is sourced from PubChem (CID 176603299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).