1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene

C14H22O2 — CID 15271907

IUPAC1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene
SMILESCOCOCCCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H22O2/c1-12(2)14-8-6-13(7-9-14)5-4-10-16-11-15-3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyRZBSWYXJQZSEKR-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.36
Rot. Bonds7

About 1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene

1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene (PubChem CID 15271907) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene
PubChem CID15271907
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene
SMILESCOCOCCCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H22O2/c1-12(2)14-8-6-13(7-9-14)5-4-10-16-11-15-3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyRZBSWYXJQZSEKR-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine
CID 65304490
ethane;3-(4-propan-2-ylphenyl)propane-1-thiol
CID 144873954
4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 115600157
methyl 4-(4-propan-2-ylphenyl)butanimidate
CID 95443204
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
4-butylbenzenethiol;4-propan-2-ylbenzenethiol
CID 162129320
1-butyl-4-ethylbenzene;ethane;1-ethyl-4-propan-2-ylbenzene;methane
CID 176687496
3-[4-(3-methoxypropyl)phenyl]-2-methylpropanoic acid
CID 115112833
1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene
CID 112815273
N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine
CID 65305501

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene?
The IUPAC name of 1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene (CID 15271907) is 1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene?
The canonical SMILES for 1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene is COCOCCCc1ccc(C(C)C)cc1.
What is the InChIKey of 1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene?
The InChIKey is RZBSWYXJQZSEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-12(2)14-8-6-13(7-9-14)5-4-10-16-11-15-3/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene?
1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene has a molecular weight of 222.33 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene is sourced from PubChem (CID 15271907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).