3-(cyclopentylidenemethoxy)oxepane

C12H20O2 — CID 176605011

IUPAC3-(cyclopentylidenemethoxy)oxepane
SMILESC(OC1CCCCOC1)=C1CCCC1
InChIInChI=1S/C12H20O2/c1-2-6-11(5-1)9-14-12-7-3-4-8-13-10-12/h9,12H,1-8,10H2
InChIKeyJLIGTJNKPAEQOK-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.03
Rot. Bonds2

About 3-(cyclopentylidenemethoxy)oxepane

3-(cyclopentylidenemethoxy)oxepane (PubChem CID 176605011) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(cyclopentylidenemethoxy)oxepane.

Molecular Properties

Compound Name3-(cyclopentylidenemethoxy)oxepane
PubChem CID176605011
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-(cyclopentylidenemethoxy)oxepane
SMILESC(OC1CCCCOC1)=C1CCCC1
InChIInChI=1S/C12H20O2/c1-2-6-11(5-1)9-14-12-7-3-4-8-13-10-12/h9,12H,1-8,10H2
InChIKeyJLIGTJNKPAEQOK-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.03
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-(Cyclopentylidenemethoxymethyl)oxolane
CID 176603014
3-(Cyclohexylidenemethoxy)oxepane
CID 176603299
2-[1-(Cyclopentylidenemethoxy)ethyl]oxolane
CID 176603324
2-(Cyclopentylidenemethoxymethyl)oxane
CID 176603363
2-(Cyclopentylidenemethoxymethyl)oxepane
CID 176603536
3-(2-Methylprop-1-enoxy)oxepane
CID 176604228

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethoxy)oxepane?
The IUPAC name of 3-(cyclopentylidenemethoxy)oxepane (CID 176605011) is 3-(cyclopentylidenemethoxy)oxepane.
What is the SMILES notation for 3-(cyclopentylidenemethoxy)oxepane?
The canonical SMILES for 3-(cyclopentylidenemethoxy)oxepane is C(OC1CCCCOC1)=C1CCCC1.
What is the InChIKey of 3-(cyclopentylidenemethoxy)oxepane?
The InChIKey is JLIGTJNKPAEQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-6-11(5-1)9-14-12-7-3-4-8-13-10-12/h9,12H,1-8,10H2.
What are the key properties of 3-(cyclopentylidenemethoxy)oxepane?
3-(cyclopentylidenemethoxy)oxepane has a molecular weight of 196.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylidenemethoxy)oxepane is sourced from PubChem (CID 176605011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).