2-ethylidene-4,4-bis(methoxymethyl)-1,1-dimethylcyclopentane

C13H24O2 — CID 11441832

IUPAC2-ethylidene-4,4-bis(methoxymethyl)-1,1-dimethylcyclopentane
SMILESCC=C1CC(COC)(COC)CC1(C)C
InChIInChI=1S/C13H24O2/c1-6-11-7-13(9-14-4,10-15-5)8-12(11,2)3/h6H,7-10H2,1-5H3
InChIKeyURSTWYWOIWZIQN-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.03
Rot. Bonds4

About 2-ethylidene-4,4-bis(methoxymethyl)-1,1-dimethylcyclopentane

2-ethylidene-4,4-bis(methoxymethyl)-1,1-dimethylcyclopentane (PubChem CID 11441832) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-ethylidene-4,4-bis(methoxymethyl)-1,1-dimethylcyclopentane.

Molecular Properties

Compound Name2-ethylidene-4,4-bis(methoxymethyl)-1,1-dimethylcyclopentane
PubChem CID11441832
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-ethylidene-4,4-bis(methoxymethyl)-1,1-dimethylcyclopentane
SMILESCC=C1CC(COC)(COC)CC1(C)C
InChIInChI=1S/C13H24O2/c1-6-11-7-13(9-14-4,10-15-5)8-12(11,2)3/h6H,7-10H2,1-5H3
InChIKeyURSTWYWOIWZIQN-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-4,4-bis(methoxymethyl)-1,1-dimethylcyclopentane?
The IUPAC name of 2-ethylidene-4,4-bis(methoxymethyl)-1,1-dimethylcyclopentane (CID 11441832) is 2-ethylidene-4,4-bis(methoxymethyl)-1,1-dimethylcyclopentane.
What is the SMILES notation for 2-ethylidene-4,4-bis(methoxymethyl)-1,1-dimethylcyclopentane?
The canonical SMILES for 2-ethylidene-4,4-bis(methoxymethyl)-1,1-dimethylcyclopentane is CC=C1CC(COC)(COC)CC1(C)C.
What is the InChIKey of 2-ethylidene-4,4-bis(methoxymethyl)-1,1-dimethylcyclopentane?
The InChIKey is URSTWYWOIWZIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-6-11-7-13(9-14-4,10-15-5)8-12(11,2)3/h6H,7-10H2,1-5H3.
What are the key properties of 2-ethylidene-4,4-bis(methoxymethyl)-1,1-dimethylcyclopentane?
2-ethylidene-4,4-bis(methoxymethyl)-1,1-dimethylcyclopentane has a molecular weight of 212.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-4,4-bis(methoxymethyl)-1,1-dimethylcyclopentane is sourced from PubChem (CID 11441832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).