1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene

C16H26O2 — CID 118041316

IUPAC1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene
SMILESCCCOCc1ccc(COCCC(C)C)cc1
InChIInChI=1S/C16H26O2/c1-4-10-17-12-15-5-7-16(8-6-15)13-18-11-9-14(2)3/h5-8,14H,4,9-13H2,1-3H3
InChIKeyLYNPZCMVPZICKO-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.18
Rot. Bonds9

About 1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene

1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene (PubChem CID 118041316) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene.

Molecular Properties

Compound Name1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene
PubChem CID118041316
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene
SMILESCCCOCc1ccc(COCCC(C)C)cc1
InChIInChI=1S/C16H26O2/c1-4-10-17-12-15-5-7-16(8-6-15)13-18-11-9-14(2)3/h5-8,14H,4,9-13H2,1-3H3
InChIKeyLYNPZCMVPZICKO-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.18
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

trimethyl-[4-(3-methylbutoxymethyl)phenyl]silane
CID 103438618
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene
CID 165127781
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172
N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine
CID 62445525
[2-fluoro-5-(3-methylbutoxymethyl)phenyl]boronic acid
CID 54971119
2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349722
1-phenylsulfanyl-4-(propoxymethyl)benzene
CID 23528182
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
phenyl-[4-(propoxymethyl)phenyl]sulfanium
CID 23528181
N,N-dimethyl-4-phenylmethoxybutan-2-amine
CID 142063705

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene?
The IUPAC name of 1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene (CID 118041316) is 1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene.
What is the SMILES notation for 1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene?
The canonical SMILES for 1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene is CCCOCc1ccc(COCCC(C)C)cc1.
What is the InChIKey of 1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene?
The InChIKey is LYNPZCMVPZICKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-4-10-17-12-15-5-7-16(8-6-15)13-18-11-9-14(2)3/h5-8,14H,4,9-13H2,1-3H3.
What are the key properties of 1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene?
1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene has a molecular weight of 250.38 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene is sourced from PubChem (CID 118041316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).