2-(cyclopentylidenemethoxymethyl)-2-methyloxane

C13H22O2 — CID 176603452

IUPAC2-(cyclopentylidenemethoxymethyl)-2-methyloxane
SMILESCC1(COC=C2CCCC2)CCCCO1
InChIInChI=1S/C13H22O2/c1-13(8-4-5-9-15-13)11-14-10-12-6-2-3-7-12/h10H,2-9,11H2,1H3
InChIKeyDCAVUOHHNSYOIG-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.42
Rot. Bonds3

About 2-(cyclopentylidenemethoxymethyl)-2-methyloxane

2-(cyclopentylidenemethoxymethyl)-2-methyloxane (PubChem CID 176603452) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-methyloxane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-methyloxane
PubChem CID176603452
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-methyloxane
SMILESCC1(COC=C2CCCC2)CCCCO1
InChIInChI=1S/C13H22O2/c1-13(8-4-5-9-15-13)11-14-10-12-6-2-3-7-12/h10H,2-9,11H2,1H3
InChIKeyDCAVUOHHNSYOIG-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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methyloxane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methyloxane (CID 176603452) is 2-(cyclopentylidenemethoxymethyl)-2-methyloxane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-methyloxane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-methyloxane is CC1(COC=C2CCCC2)CCCCO1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-methyloxane?
The InChIKey is DCAVUOHHNSYOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-13(8-4-5-9-15-13)11-14-10-12-6-2-3-7-12/h10H,2-9,11H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-methyloxane?
2-(cyclopentylidenemethoxymethyl)-2-methyloxane 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)-2-methyloxane is sourced from PubChem (CID 176603452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).