4-(cyclopentylidenemethoxymethyl)-4-methyloxane

C13H22O2 — CID 176604122

IUPAC4-(cyclopentylidenemethoxymethyl)-4-methyloxane
SMILESCC1(COC=C2CCCC2)CCOCC1
InChIInChI=1S/C13H22O2/c1-13(6-8-14-9-7-13)11-15-10-12-4-2-3-5-12/h10H,2-9,11H2,1H3
InChIKeyUTBOBHOEASTBSA-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds3

About 4-(cyclopentylidenemethoxymethyl)-4-methyloxane

4-(cyclopentylidenemethoxymethyl)-4-methyloxane (PubChem CID 176604122) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(cyclopentylidenemethoxymethyl)-4-methyloxane.

Molecular Properties

Compound Name4-(cyclopentylidenemethoxymethyl)-4-methyloxane
PubChem CID176604122
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-(cyclopentylidenemethoxymethyl)-4-methyloxane
SMILESCC1(COC=C2CCCC2)CCOCC1
InChIInChI=1S/C13H22O2/c1-13(6-8-14-9-7-13)11-15-10-12-4-2-3-5-12/h10H,2-9,11H2,1H3
InChIKeyUTBOBHOEASTBSA-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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

4-(Methoxymethyl)-4-prop-1-en-2-yloxane
CID 144557126
4-Methyl-4-prop-1-en-2-yloxane
CID 168169287
4-Ethyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176602969
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methyloxolane
CID 176603522
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethyloxane
CID 176603595
4-(Cyclopentylidenemethoxymethyl)-4-ethyloxane
CID 176604071
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methyloxane
CID 176604630
3-(Cyclopentylidenemethoxymethyl)-3-ethyloxane
CID 176604666
4-[1-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176604681
4-(Cyclohexylidenemethoxymethyl)-4-ethyloxane
CID 176604688
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxolane
CID 176604749
4-(Cyclohexylidenemethoxymethyl)-4-methyloxane
CID 176604962

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylidenemethoxymethyl)-4-methyloxane?
The IUPAC name of 4-(cyclopentylidenemethoxymethyl)-4-methyloxane (CID 176604122) is 4-(cyclopentylidenemethoxymethyl)-4-methyloxane.
What is the SMILES notation for 4-(cyclopentylidenemethoxymethyl)-4-methyloxane?
The canonical SMILES for 4-(cyclopentylidenemethoxymethyl)-4-methyloxane is CC1(COC=C2CCCC2)CCOCC1.
What is the InChIKey of 4-(cyclopentylidenemethoxymethyl)-4-methyloxane?
The InChIKey is UTBOBHOEASTBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-13(6-8-14-9-7-13)11-15-10-12-4-2-3-5-12/h10H,2-9,11H2,1H3.
What are the key properties of 4-(cyclopentylidenemethoxymethyl)-4-methyloxane?
4-(cyclopentylidenemethoxymethyl)-4-methyloxane has a molecular weight of 210.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylidenemethoxymethyl)-4-methyloxane is sourced from PubChem (CID 176604122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).