1,4-bis(10,10-dimethylundecyl)benzene

C32H58 — CID 151982772

IUPAC1,4-bis(10,10-dimethylundecyl)benzene
SMILESCC(C)(C)CCCCCCCCCc1ccc(CCCCCCCCCC(C)(C)C)cc1
InChIInChI=1S/C32H58/c1-31(2,3)27-19-15-11-7-9-13-17-21-29-23-25-30(26-24-29)22-18-14-10-8-12-16-20-28-32(4,5)6/h23-26H,7-22,27-28H2,1-6H3
InChIKeyUDANLDWQTHHAPQ-UHFFFAOYSA-N
MW442.82 g/mol
LogP11.11
Rot. Bonds18

About 1,4-bis(10,10-dimethylundecyl)benzene

1,4-bis(10,10-dimethylundecyl)benzene (PubChem CID 151982772) has the molecular formula C32H58 and a molecular weight of 442.82 g/mol. Its IUPAC name is 1,4-bis(10,10-dimethylundecyl)benzene.

Molecular Properties

Compound Name1,4-bis(10,10-dimethylundecyl)benzene
PubChem CID151982772
Molecular FormulaC32H58
Molecular Weight442.82 g/mol
Exact Mass442.45
IUPAC Name1,4-bis(10,10-dimethylundecyl)benzene
SMILESCC(C)(C)CCCCCCCCCc1ccc(CCCCCCCCCC(C)(C)C)cc1
InChIInChI=1S/C32H58/c1-31(2,3)27-19-15-11-7-9-13-17-21-29-23-25-30(26-24-29)22-18-14-10-8-12-16-20-28-32(4,5)6/h23-26H,7-22,27-28H2,1-6H3
InChIKeyUDANLDWQTHHAPQ-UHFFFAOYSA-N
XLogP11.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.82
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 140589361
4-(9,9-dimethyldecyl)-1-methylpyridin-1-ium iodide
CID 71337832
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CID 150895968
1-(5,5-dimethylhexyl)-4-(2,2-dimethylpropoxy)benzene
CID 167387215
4-(4,4-dimethylpentyl)phenol
CID 20692467
3-(6,6-dimethylheptyl)thiophene
CID 174801737
azane;3-(6,6-dimethylheptyl)thiophene
CID 174801736
2-[4-[4-(4,4-dimethylpentyl)phenyl]phenyl]ethanamine
CID 170059599
2-[4-(5,5-dimethylhexyl)phenoxy]acetic acid
CID 4058495
4-[3-[4-(3,3-dimethylbutyl)phenyl]propyl]phenol
CID 58897702
9,10-bis(10,10-dimethylundecyl)anthracene
CID 150041861
12-[4-(10,10-dihydroxydodecyl)phenyl]dodecane-3,3-diol
CID 150548684

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(10,10-dimethylundecyl)benzene?
The IUPAC name of 1,4-bis(10,10-dimethylundecyl)benzene (CID 151982772) is 1,4-bis(10,10-dimethylundecyl)benzene.
What is the SMILES notation for 1,4-bis(10,10-dimethylundecyl)benzene?
The canonical SMILES for 1,4-bis(10,10-dimethylundecyl)benzene is CC(C)(C)CCCCCCCCCc1ccc(CCCCCCCCCC(C)(C)C)cc1.
What is the InChIKey of 1,4-bis(10,10-dimethylundecyl)benzene?
The InChIKey is UDANLDWQTHHAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58/c1-31(2,3)27-19-15-11-7-9-13-17-21-29-23-25-30(26-24-29)22-18-14-10-8-12-16-20-28-32(4,5)6/h23-26H,7-22,27-28H2,1-6H3.
What are the key properties of 1,4-bis(10,10-dimethylundecyl)benzene?
1,4-bis(10,10-dimethylundecyl)benzene has a molecular weight of 442.82 g/mol, XLogP of 11.11, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(10,10-dimethylundecyl)benzene is sourced from PubChem (CID 151982772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).