1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene

C34H54O — CID 154488983

IUPAC1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene
SMILESCCCCCCCCCCc1ccc(COCc2ccc(CCCCCCCCCC)cc2)cc1
InChIInChI=1S/C34H54O/c1-3-5-7-9-11-13-15-17-19-31-21-25-33(26-22-31)29-35-30-34-27-23-32(24-28-34)20-18-16-14-12-10-8-6-4-2/h21-28H,3-20,29-30H2,1-2H3
InChIKeyFQXVHBBKCLWDDX-UHFFFAOYSA-N
MW478.81 g/mol
LogP10.77
Rot. Bonds22

About 1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene

1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene (PubChem CID 154488983) has the molecular formula C34H54O and a molecular weight of 478.81 g/mol. Its IUPAC name is 1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene
PubChem CID154488983
Molecular FormulaC34H54O
Molecular Weight478.81 g/mol
Exact Mass478.42
IUPAC Name1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene
SMILESCCCCCCCCCCc1ccc(COCc2ccc(CCCCCCCCCC)cc2)cc1
InChIInChI=1S/C34H54O/c1-3-5-7-9-11-13-15-17-19-31-21-25-33(26-22-31)29-35-30-34-27-23-32(24-28-34)20-18-16-14-12-10-8-6-4-2/h21-28H,3-20,29-30H2,1-2H3
InChIKeyFQXVHBBKCLWDDX-UHFFFAOYSA-N
XLogP10.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.81
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119
1-butyl-4-nonylbenzene
CID 59545302
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
methanolate;nickel(3+);4-octylphenol
CID 159960852
tris(4-octylphenol);propane
CID 90866185
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
1-methyl-4-octylbenzene
CID 11052746
calcium;hydride;4-tetradecylphenol
CID 174582359
calcium;hydride;4-octylphenol
CID 173256756

Frequently Asked Questions

What is the IUPAC name of 1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene?
The IUPAC name of 1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene (CID 154488983) is 1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene.
What is the SMILES notation for 1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene?
The canonical SMILES for 1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene is CCCCCCCCCCc1ccc(COCc2ccc(CCCCCCCCCC)cc2)cc1.
What is the InChIKey of 1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene?
The InChIKey is FQXVHBBKCLWDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54O/c1-3-5-7-9-11-13-15-17-19-31-21-25-33(26-22-31)29-35-30-34-27-23-32(24-28-34)20-18-16-14-12-10-8-6-4-2/h21-28H,3-20,29-30H2,1-2H3.
What are the key properties of 1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene?
1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene has a molecular weight of 478.81 g/mol, XLogP of 10.77, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene is sourced from PubChem (CID 154488983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).