[cyclopentyloxy(methoxy)methyl]benzene

C13H18O2 — CID 54296518

IUPAC[cyclopentyloxy(methoxy)methyl]benzene
SMILESCOC(OC1CCCC1)c1ccccc1
InChIInChI=1S/C13H18O2/c1-14-13(11-7-3-2-4-8-11)15-12-9-5-6-10-12/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChIKeyCTGAPRAWTCFTJG-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.29
Rot. Bonds4

About [cyclopentyloxy(methoxy)methyl]benzene

[cyclopentyloxy(methoxy)methyl]benzene (PubChem CID 54296518) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is [cyclopentyloxy(methoxy)methyl]benzene.

Molecular Properties

Compound Name[cyclopentyloxy(methoxy)methyl]benzene
PubChem CID54296518
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name[cyclopentyloxy(methoxy)methyl]benzene
SMILESCOC(OC1CCCC1)c1ccccc1
InChIInChI=1S/C13H18O2/c1-14-13(11-7-3-2-4-8-11)15-12-9-5-6-10-12/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChIKeyCTGAPRAWTCFTJG-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [cyclopentyloxy(methoxy)methyl]benzene?
The IUPAC name of [cyclopentyloxy(methoxy)methyl]benzene (CID 54296518) is [cyclopentyloxy(methoxy)methyl]benzene.
What is the SMILES notation for [cyclopentyloxy(methoxy)methyl]benzene?
The canonical SMILES for [cyclopentyloxy(methoxy)methyl]benzene is COC(OC1CCCC1)c1ccccc1.
What is the InChIKey of [cyclopentyloxy(methoxy)methyl]benzene?
The InChIKey is CTGAPRAWTCFTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-14-13(11-7-3-2-4-8-11)15-12-9-5-6-10-12/h2-4,7-8,12-13H,5-6,9-10H2,1H3.
What are the key properties of [cyclopentyloxy(methoxy)methyl]benzene?
[cyclopentyloxy(methoxy)methyl]benzene has a molecular weight of 206.29 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopentyloxy(methoxy)methyl]benzene is sourced from PubChem (CID 54296518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).