1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene

C60H94O4 — CID 102012139

IUPAC1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
SMILESCCCCCC1CCC(c2ccc(OCCCCCCCCCCOc3ccc(OCCCCCCCCCCOc4ccc(C5CCC(CCCCC)CC5)cc4)cc3)cc2)CC1
InChIInChI=1S/C60H94O4/c1-3-5-19-25-51-27-31-53(32-28-51)55-35-39-57(40-36-55)61-47-21-15-11-7-9-13-17-23-49-63-59-43-45-60(46-44-59)64-50-24-18-14-10-8-12-16-22-48-62-58-41-37-56(38-42-58)54-33-29-52(30-34-54)26-20-6-4-2/h35-46,51-54H,3-34,47-50H2,1-2H3
InChIKeyMZINVLBGYXFUSI-UHFFFAOYSA-N
MW879.41 g/mol
LogP18.55
Rot. Bonds36

About 1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene

1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene (PubChem CID 102012139) has the molecular formula C60H94O4 and a molecular weight of 879.41 g/mol. Its IUPAC name is 1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene.

Molecular Properties

Compound Name1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
PubChem CID102012139
Molecular FormulaC60H94O4
Molecular Weight879.41 g/mol
Exact Mass878.72
IUPAC Name1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
SMILESCCCCCC1CCC(c2ccc(OCCCCCCCCCCOc3ccc(OCCCCCCCCCCOc4ccc(C5CCC(CCCCC)CC5)cc4)cc3)cc2)CC1
InChIInChI=1S/C60H94O4/c1-3-5-19-25-51-27-31-53(32-28-51)55-35-39-57(40-36-55)61-47-21-15-11-7-9-13-17-23-49-63-59-43-45-60(46-44-59)64-50-24-18-14-10-8-12-16-22-48-62-58-41-37-56(38-42-58)54-33-29-52(30-34-54)26-20-6-4-2/h35-46,51-54H,3-34,47-50H2,1-2H3
InChIKeyMZINVLBGYXFUSI-UHFFFAOYSA-N
XLogP18.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds36
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.41
LogP ≤ 518.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136
1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene
CID 59265311
9-[4-(4-pentylcyclohexyl)phenoxy]nonane-1-thiol
CID 102302760
1-octoxy-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 54461890
1-butoxy-4-[[4-(4-pentylcyclohexyl)phenyl]methoxy]benzene
CID 54111085
3-[4-(4-heptylcyclohexyl)phenoxy]propanal
CID 91098007

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene?
The IUPAC name of 1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene (CID 102012139) is 1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene.
What is the SMILES notation for 1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene?
The canonical SMILES for 1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene is CCCCCC1CCC(c2ccc(OCCCCCCCCCCOc3ccc(OCCCCCCCCCCOc4ccc(C5CCC(CCCCC)CC5)cc4)cc3)cc2)CC1.
What is the InChIKey of 1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene?
The InChIKey is MZINVLBGYXFUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H94O4/c1-3-5-19-25-51-27-31-53(32-28-51)55-35-39-57(40-36-55)61-47-21-15-11-7-9-13-17-23-49-63-59-43-45-60(46-44-59)64-50-24-18-14-10-8-12-16-22-48-62-58-41-37-56(38-42-58)54-33-29-52(30-34-54)26-20-6-4-2/h35-46,51-54H,3-34,47-50H2,1-2H3.
What are the key properties of 1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene?
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene has a molecular weight of 879.41 g/mol, XLogP of 18.55, 36 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene is sourced from PubChem (CID 102012139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).