2-(cyclopentylidenemethoxymethyl)-2-methyloxepane

C14H24O2 — CID 176603786

IUPAC2-(cyclopentylidenemethoxymethyl)-2-methyloxepane
SMILESCC1(COC=C2CCCC2)CCCCCO1
InChIInChI=1S/C14H24O2/c1-14(9-5-2-6-10-16-14)12-15-11-13-7-3-4-8-13/h11H,2-10,12H2,1H3
InChIKeyHMHOSVWIYKYZKA-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.81
Rot. Bonds3

About 2-(cyclopentylidenemethoxymethyl)-2-methyloxepane

2-(cyclopentylidenemethoxymethyl)-2-methyloxepane (PubChem CID 176603786) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-methyloxepane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-methyloxepane
PubChem CID176603786
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-methyloxepane
SMILESCC1(COC=C2CCCC2)CCCCCO1
InChIInChI=1S/C14H24O2/c1-14(9-5-2-6-10-16-14)12-15-11-13-7-3-4-8-13/h11H,2-10,12H2,1H3
InChIKeyHMHOSVWIYKYZKA-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

(2S)-2-(methoxymethyl)-2-methyl-4-methylideneoxepane
CID 141968309
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxepane
CID 176602930
2-(Cyclopentylidenemethoxymethyl)oxepane
CID 176603536
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxepane
CID 176603539
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxocane
CID 176604065
2-(Cyclopentylidenemethoxymethyl)-2-methyloxocane
CID 176604337
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxane
CID 176605188
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxepane
CID 176605227
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyloxepane
CID 176605452

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methyloxepane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methyloxepane (CID 176603786) is 2-(cyclopentylidenemethoxymethyl)-2-methyloxepane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-methyloxepane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-methyloxepane is CC1(COC=C2CCCC2)CCCCCO1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-methyloxepane?
The InChIKey is HMHOSVWIYKYZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-14(9-5-2-6-10-16-14)12-15-11-13-7-3-4-8-13/h11H,2-10,12H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-methyloxepane?
2-(cyclopentylidenemethoxymethyl)-2-methyloxepane 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-(cyclopentylidenemethoxymethyl)-2-methyloxepane is sourced from PubChem (CID 176603786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).