1-(2-methoxypropan-2-yloxymethyl)-5-methylcyclopentene

C11H20O2 — CID 66827689

IUPAC1-(2-methoxypropan-2-yloxymethyl)-5-methylcyclopentene
SMILESCOC(C)(C)OCC1=CCCC1C
InChIInChI=1S/C11H20O2/c1-9-6-5-7-10(9)8-13-11(2,3)12-4/h7,9H,5-6,8H2,1-4H3
InChIKeyKMIIVXPEBXHJNC-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds4

About 1-(2-methoxypropan-2-yloxymethyl)-5-methylcyclopentene

1-(2-methoxypropan-2-yloxymethyl)-5-methylcyclopentene (PubChem CID 66827689) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(2-methoxypropan-2-yloxymethyl)-5-methylcyclopentene.

Molecular Properties

Compound Name1-(2-methoxypropan-2-yloxymethyl)-5-methylcyclopentene
PubChem CID66827689
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(2-methoxypropan-2-yloxymethyl)-5-methylcyclopentene
SMILESCOC(C)(C)OCC1=CCCC1C
InChIInChI=1S/C11H20O2/c1-9-6-5-7-10(9)8-13-11(2,3)12-4/h7,9H,5-6,8H2,1-4H3
InChIKeyKMIIVXPEBXHJNC-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropan-2-yloxymethyl)-5-methylcyclopentene?
The IUPAC name of 1-(2-methoxypropan-2-yloxymethyl)-5-methylcyclopentene (CID 66827689) is 1-(2-methoxypropan-2-yloxymethyl)-5-methylcyclopentene.
What is the SMILES notation for 1-(2-methoxypropan-2-yloxymethyl)-5-methylcyclopentene?
The canonical SMILES for 1-(2-methoxypropan-2-yloxymethyl)-5-methylcyclopentene is COC(C)(C)OCC1=CCCC1C.
What is the InChIKey of 1-(2-methoxypropan-2-yloxymethyl)-5-methylcyclopentene?
The InChIKey is KMIIVXPEBXHJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9-6-5-7-10(9)8-13-11(2,3)12-4/h7,9H,5-6,8H2,1-4H3.
What are the key properties of 1-(2-methoxypropan-2-yloxymethyl)-5-methylcyclopentene?
1-(2-methoxypropan-2-yloxymethyl)-5-methylcyclopentene has a molecular weight of 184.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropan-2-yloxymethyl)-5-methylcyclopentene is sourced from PubChem (CID 66827689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).