2-(cyclopentylidenemethoxymethyl)oxepane

C13H22O2 — CID 176603536

IUPAC2-(cyclopentylidenemethoxymethyl)oxepane
SMILESC(OCC1CCCCCO1)=C1CCCC1
InChIInChI=1S/C13H22O2/c1-2-8-13(15-9-5-1)11-14-10-12-6-3-4-7-12/h10,13H,1-9,11H2
InChIKeySNIVZEMKCZGRKO-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.42
Rot. Bonds3

About 2-(cyclopentylidenemethoxymethyl)oxepane

2-(cyclopentylidenemethoxymethyl)oxepane (PubChem CID 176603536) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)oxepane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)oxepane
PubChem CID176603536
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(cyclopentylidenemethoxymethyl)oxepane
SMILESC(OCC1CCCCCO1)=C1CCCC1
InChIInChI=1S/C13H22O2/c1-2-8-13(15-9-5-1)11-14-10-12-6-3-4-7-12/h10,13H,1-9,11H2
InChIKeySNIVZEMKCZGRKO-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

2-[1-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176603211
2-(Cyclopentylidenemethoxymethyl)oxane
CID 176603363
2-[1-(Cyclopentylidenemethoxy)ethyl]oxocane
CID 176603756
2-(Cyclopentylidenemethoxymethyl)-2-methyloxepane
CID 176603786
2-(Cyclopentylidenemethoxymethyl)oxocane
CID 176604000
2-[3-(Cyclopentylidenemethoxy)propyl]oxolane
CID 176604433
2-[2-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176604507
2-(2-Methylprop-1-enoxymethyl)oxepane
CID 176604560
3-(Cyclopentylidenemethoxy)oxepane
CID 176605011
3-(Cyclopentylidenemethoxy)oxocane
CID 176605259
2-(Cyclohexylidenemethoxymethyl)oxepane
CID 176605291

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)oxepane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)oxepane (CID 176603536) is 2-(cyclopentylidenemethoxymethyl)oxepane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)oxepane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)oxepane is C(OCC1CCCCCO1)=C1CCCC1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)oxepane?
The InChIKey is SNIVZEMKCZGRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-8-13(15-9-5-1)11-14-10-12-6-3-4-7-12/h10,13H,1-9,11H2.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)oxepane?
2-(cyclopentylidenemethoxymethyl)oxepane has a molecular weight of 210.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)oxepane is sourced from PubChem (CID 176603536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).