1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene

C14H22O2 — CID 131994370

IUPAC1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene
SMILESCCCC(C)c1ccc(COCOC)cc1
InChIInChI=1S/C14H22O2/c1-4-5-12(2)14-8-6-13(7-9-14)10-16-11-15-3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyUHRSPZCDRAKOPL-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.71
Rot. Bonds7

About 1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene

1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene (PubChem CID 131994370) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene.

Molecular Properties

Compound Name1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene
PubChem CID131994370
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene
SMILESCCCC(C)c1ccc(COCOC)cc1
InChIInChI=1S/C14H22O2/c1-4-5-12(2)14-8-6-13(7-9-14)10-16-11-15-3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyUHRSPZCDRAKOPL-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(methoxymethoxymethyl)benzene
CID 121009952
1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 118325862
(4R,5R)-5-[4-(methoxymethoxymethyl)phenyl]oct-7-en-4-ol
CID 11780859
1-(chloromethyl)-4-pentan-2-ylbenzene
CID 19353579
2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol
CID 118325776
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine
CID 102987103
N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine
CID 103285688
2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 118325882
pentan-2-ylbenzene
CID 17627
2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349722
1-ethynyl-4-(methoxymethoxymethyl)benzene
CID 14481693

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene?
The IUPAC name of 1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene (CID 131994370) is 1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene.
What is the SMILES notation for 1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene?
The canonical SMILES for 1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene is CCCC(C)c1ccc(COCOC)cc1.
What is the InChIKey of 1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene?
The InChIKey is UHRSPZCDRAKOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-5-12(2)14-8-6-13(7-9-14)10-16-11-15-3/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene?
1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene has a molecular weight of 222.33 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene is sourced from PubChem (CID 131994370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).