1-(2-methoxyethoxy)pentylbenzene

C14H22O2 — CID 10977044

IUPAC1-(2-methoxyethoxy)pentylbenzene
SMILESCCCCC(OCCOC)c1ccccc1
InChIInChI=1S/C14H22O2/c1-3-4-10-14(16-12-11-15-2)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKeyRETUGPPLJKVWKM-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.58
Rot. Bonds8

About 1-(2-methoxyethoxy)pentylbenzene

1-(2-methoxyethoxy)pentylbenzene (PubChem CID 10977044) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)pentylbenzene.

Molecular Properties

Compound Name1-(2-methoxyethoxy)pentylbenzene
PubChem CID10977044
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(2-methoxyethoxy)pentylbenzene
SMILESCCCCC(OCCOC)c1ccccc1
InChIInChI=1S/C14H22O2/c1-3-4-10-14(16-12-11-15-2)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKeyRETUGPPLJKVWKM-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzyl acetate
CID 8785
Styrene Oxide
CID 7276
Dibenzyl ether
CID 7657
(S)-styrene oxide
CID 114946
1-Phenylethyl propionate
CID 8432
Benzyl propionate
CID 31219
1-Phenylethyl Acetate
CID 62341
Benzyl ethyl ether
CID 10873
alpha-Methylbenzyl formate
CID 346286
2-(Benzyloxy) ethanol
CID 12141
Benzyl butyl ether
CID 61134
1-Phenylethyl 2-methylpropanoate
CID 569214

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)pentylbenzene?
The IUPAC name of 1-(2-methoxyethoxy)pentylbenzene (CID 10977044) is 1-(2-methoxyethoxy)pentylbenzene.
What is the SMILES notation for 1-(2-methoxyethoxy)pentylbenzene?
The canonical SMILES for 1-(2-methoxyethoxy)pentylbenzene is CCCCC(OCCOC)c1ccccc1.
What is the InChIKey of 1-(2-methoxyethoxy)pentylbenzene?
The InChIKey is RETUGPPLJKVWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-4-10-14(16-12-11-15-2)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)pentylbenzene?
1-(2-methoxyethoxy)pentylbenzene has a molecular weight of 222.33 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)pentylbenzene is sourced from PubChem (CID 10977044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).