5,5-bis(methoxymethyl)-1,4,4-trimethyl-3-methylidenecyclopentene

C13H22O2 — CID 67592669

IUPAC5,5-bis(methoxymethyl)-1,4,4-trimethyl-3-methylidenecyclopentene
SMILESC=C1C=C(C)C(COC)(COC)C1(C)C
InChIInChI=1S/C13H22O2/c1-10-7-11(2)13(8-14-5,9-15-6)12(10,3)4/h7H,1,8-9H2,2-6H3
InChIKeyZZQGAASQNVRFSB-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.81
Rot. Bonds4

About 5,5-bis(methoxymethyl)-1,4,4-trimethyl-3-methylidenecyclopentene

5,5-bis(methoxymethyl)-1,4,4-trimethyl-3-methylidenecyclopentene (PubChem CID 67592669) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5,5-bis(methoxymethyl)-1,4,4-trimethyl-3-methylidenecyclopentene.

Molecular Properties

Compound Name5,5-bis(methoxymethyl)-1,4,4-trimethyl-3-methylidenecyclopentene
PubChem CID67592669
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name5,5-bis(methoxymethyl)-1,4,4-trimethyl-3-methylidenecyclopentene
SMILESC=C1C=C(C)C(COC)(COC)C1(C)C
InChIInChI=1S/C13H22O2/c1-10-7-11(2)13(8-14-5,9-15-6)12(10,3)4/h7H,1,8-9H2,2-6H3
InChIKeyZZQGAASQNVRFSB-UHFFFAOYSA-N
XLogP2.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(methoxymethyl)-1,4,4-trimethyl-3-methylidenecyclopentene?
The IUPAC name of 5,5-bis(methoxymethyl)-1,4,4-trimethyl-3-methylidenecyclopentene (CID 67592669) is 5,5-bis(methoxymethyl)-1,4,4-trimethyl-3-methylidenecyclopentene.
What is the SMILES notation for 5,5-bis(methoxymethyl)-1,4,4-trimethyl-3-methylidenecyclopentene?
The canonical SMILES for 5,5-bis(methoxymethyl)-1,4,4-trimethyl-3-methylidenecyclopentene is C=C1C=C(C)C(COC)(COC)C1(C)C.
What is the InChIKey of 5,5-bis(methoxymethyl)-1,4,4-trimethyl-3-methylidenecyclopentene?
The InChIKey is ZZQGAASQNVRFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10-7-11(2)13(8-14-5,9-15-6)12(10,3)4/h7H,1,8-9H2,2-6H3.
What are the key properties of 5,5-bis(methoxymethyl)-1,4,4-trimethyl-3-methylidenecyclopentene?
5,5-bis(methoxymethyl)-1,4,4-trimethyl-3-methylidenecyclopentene has a molecular weight of 210.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(methoxymethyl)-1,4,4-trimethyl-3-methylidenecyclopentene is sourced from PubChem (CID 67592669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).