2-(cyclopentylidenemethoxymethyl)-2-methyl-7-oxabicyclo[2.2.1]heptane

C14H22O2 — CID 176605288

IUPAC2-(cyclopentylidenemethoxymethyl)-2-methyl-7-oxabicyclo[2.2.1]heptane
SMILESCC1(COC=C2CCCC2)CC2CCC1O2
InChIInChI=1S/C14H22O2/c1-14(8-12-6-7-13(14)16-12)10-15-9-11-4-2-3-5-11/h9,12-13H,2-8,10H2,1H3
InChIKeySWOSGWXWLUBWIP-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.42
Rot. Bonds3

About 2-(cyclopentylidenemethoxymethyl)-2-methyl-7-oxabicyclo[2.2.1]heptane

2-(cyclopentylidenemethoxymethyl)-2-methyl-7-oxabicyclo[2.2.1]heptane (PubChem CID 176605288) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-methyl-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-methyl-7-oxabicyclo[2.2.1]heptane
PubChem CID176605288
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-methyl-7-oxabicyclo[2.2.1]heptane
SMILESCC1(COC=C2CCCC2)CC2CCC1O2
InChIInChI=1S/C14H22O2/c1-14(8-12-6-7-13(14)16-12)10-15-9-11-4-2-3-5-11/h9,12-13H,2-8,10H2,1H3
InChIKeySWOSGWXWLUBWIP-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
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-methyl-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methyl-7-oxabicyclo[2.2.1]heptane (CID 176605288) is 2-(cyclopentylidenemethoxymethyl)-2-methyl-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-methyl-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-methyl-7-oxabicyclo[2.2.1]heptane is CC1(COC=C2CCCC2)CC2CCC1O2.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-methyl-7-oxabicyclo[2.2.1]heptane?
The InChIKey is SWOSGWXWLUBWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-14(8-12-6-7-13(14)16-12)10-15-9-11-4-2-3-5-11/h9,12-13H,2-8,10H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-methyl-7-oxabicyclo[2.2.1]heptane?
2-(cyclopentylidenemethoxymethyl)-2-methyl-7-oxabicyclo[2.2.1]heptane has a molecular weight of 222.33 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-methyl-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 176605288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).