decane;1-methyl-4-(4-methylphenoxy)benzene;octane

C32H54O — CID 90840251

IUPACdecane;1-methyl-4-(4-methylphenoxy)benzene;octane
SMILESCCCCCCCC.CCCCCCCCCC.Cc1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C14H14O.C10H22.C8H18/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-3-5-7-9-10-8-6-4-2;1-3-5-7-8-6-4-2/h3-10H,1-2H3;3-10H2,1-2H3;3-8H2,1-2H3
InChIKeyFQHSLBBUZRBYEF-UHFFFAOYSA-N
MW454.78 g/mol
LogP11.61
Rot. Bonds14

About decane;1-methyl-4-(4-methylphenoxy)benzene;octane

decane;1-methyl-4-(4-methylphenoxy)benzene;octane (PubChem CID 90840251) has the molecular formula C32H54O and a molecular weight of 454.78 g/mol. Its IUPAC name is decane;1-methyl-4-(4-methylphenoxy)benzene;octane.

Molecular Properties

Compound Namedecane;1-methyl-4-(4-methylphenoxy)benzene;octane
PubChem CID90840251
Molecular FormulaC32H54O
Molecular Weight454.78 g/mol
Exact Mass454.42
IUPAC Namedecane;1-methyl-4-(4-methylphenoxy)benzene;octane
SMILESCCCCCCCC.CCCCCCCCCC.Cc1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C14H14O.C10H22.C8H18/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-3-5-7-9-10-8-6-4-2;1-3-5-7-8-6-4-2/h3-10H,1-2H3;3-10H2,1-2H3;3-8H2,1-2H3
InChIKeyFQHSLBBUZRBYEF-UHFFFAOYSA-N
XLogP11.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.78
LogP ≤ 511.61
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-methyl-4-(4-octylphenoxy)benzene
CID 174658357
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
acetaldehyde;1-methyl-4-(4-pentylphenoxy)benzene
CID 142415124
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
(4-methylphenyl) decane-1-sulfonate
CID 87380183
dihexyl-(4-methylphenoxy)alumane
CID 139948347
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
butane-1,1-diol;1-methyl-4-(4-methylphenoxy)benzene
CID 70420905
formaldehyde;hexane;1,4-xylene
CID 143308406
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735

Frequently Asked Questions

What is the IUPAC name of decane;1-methyl-4-(4-methylphenoxy)benzene;octane?
The IUPAC name of decane;1-methyl-4-(4-methylphenoxy)benzene;octane (CID 90840251) is decane;1-methyl-4-(4-methylphenoxy)benzene;octane.
What is the SMILES notation for decane;1-methyl-4-(4-methylphenoxy)benzene;octane?
The canonical SMILES for decane;1-methyl-4-(4-methylphenoxy)benzene;octane is CCCCCCCC.CCCCCCCCCC.Cc1ccc(Oc2ccc(C)cc2)cc1.
What is the InChIKey of decane;1-methyl-4-(4-methylphenoxy)benzene;octane?
The InChIKey is FQHSLBBUZRBYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.C10H22.C8H18/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-3-5-7-9-10-8-6-4-2;1-3-5-7-8-6-4-2/h3-10H,1-2H3;3-10H2,1-2H3;3-8H2,1-2H3.
What are the key properties of decane;1-methyl-4-(4-methylphenoxy)benzene;octane?
decane;1-methyl-4-(4-methylphenoxy)benzene;octane has a molecular weight of 454.78 g/mol, XLogP of 11.61, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decane;1-methyl-4-(4-methylphenoxy)benzene;octane is sourced from PubChem (CID 90840251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).