2-(cyclohexylidenemethoxymethyl)oxepane

C14H24O2 — CID 176605291

IUPAC2-(cyclohexylidenemethoxymethyl)oxepane
SMILESC(OCC1CCCCCO1)=C1CCCCC1
InChIInChI=1S/C14H24O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-16-14/h11,14H,1-10,12H2
InChIKeyQRERRJSYJQUGJV-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.81
Rot. Bonds3

About 2-(cyclohexylidenemethoxymethyl)oxepane

2-(cyclohexylidenemethoxymethyl)oxepane (PubChem CID 176605291) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)oxepane.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)oxepane
PubChem CID176605291
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(cyclohexylidenemethoxymethyl)oxepane
SMILESC(OCC1CCCCCO1)=C1CCCCC1
InChIInChI=1S/C14H24O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-16-14/h11,14H,1-10,12H2
InChIKeyQRERRJSYJQUGJV-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.81
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

2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran
CID 70503984
3-(Cyclohexylidenemethoxy)oxocane
CID 176603020
2-[1-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176603211
3-(Cyclohexylidenemethoxy)oxepane
CID 176603299
2-(Cyclohexylidenemethoxymethyl)oxocane
CID 176603472
2-(Cyclopentylidenemethoxymethyl)oxepane
CID 176603536
2-[3-(Cyclohexylidenemethoxy)propyl]oxolane
CID 176603711
2-[1-(Cyclohexylidenemethoxy)ethyl]oxocane
CID 176603972
2-[2-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176604143
2-[1-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176604355
2-(2-Methylprop-1-enoxymethyl)oxepane
CID 176604560
2-(Cyclohexylidenemethoxymethyl)oxane
CID 176604786

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)oxepane?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)oxepane (CID 176605291) is 2-(cyclohexylidenemethoxymethyl)oxepane.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)oxepane?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)oxepane is C(OCC1CCCCCO1)=C1CCCCC1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)oxepane?
The InChIKey is QRERRJSYJQUGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-16-14/h11,14H,1-10,12H2.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)oxepane?
2-(cyclohexylidenemethoxymethyl)oxepane has a molecular weight of 224.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)oxepane is sourced from PubChem (CID 176605291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).