1-[1,4-bis[4-(1-ethoxyethoxy)phenyl]cyclohexyl]-4-(1-ethoxyethoxy)benzene

C36H48O6 — CID 90276548

IUPAC1-[1,4-bis[4-(1-ethoxyethoxy)phenyl]cyclohexyl]-4-(1-ethoxyethoxy)benzene
SMILESCCOC(C)Oc1ccc(C2CCC(c3ccc(OC(C)OCC)cc3)(c3ccc(OC(C)OCC)cc3)CC2)cc1
InChIInChI=1S/C36H48O6/c1-7-37-26(4)40-33-16-10-29(11-17-33)30-22-24-36(25-23-30,31-12-18-34(19-13-31)41-27(5)38-8-2)32-14-20-35(21-15-32)42-28(6)39-9-3/h10-21,26-28,30H,7-9,22-25H2,1-6H3
InChIKeyVLDVLTOZRRYKPA-UHFFFAOYSA-N
MW576.77 g/mol
LogP8.61
Rot. Bonds15

About 1-[1,4-bis[4-(1-ethoxyethoxy)phenyl]cyclohexyl]-4-(1-ethoxyethoxy)benzene

1-[1,4-bis[4-(1-ethoxyethoxy)phenyl]cyclohexyl]-4-(1-ethoxyethoxy)benzene (PubChem CID 90276548) has the molecular formula C36H48O6 and a molecular weight of 576.77 g/mol. Its IUPAC name is 1-[1,4-bis[4-(1-ethoxyethoxy)phenyl]cyclohexyl]-4-(1-ethoxyethoxy)benzene.

Molecular Properties

Compound Name1-[1,4-bis[4-(1-ethoxyethoxy)phenyl]cyclohexyl]-4-(1-ethoxyethoxy)benzene
PubChem CID90276548
Molecular FormulaC36H48O6
Molecular Weight576.77 g/mol
Exact Mass576.35
IUPAC Name1-[1,4-bis[4-(1-ethoxyethoxy)phenyl]cyclohexyl]-4-(1-ethoxyethoxy)benzene
SMILESCCOC(C)Oc1ccc(C2CCC(c3ccc(OC(C)OCC)cc3)(c3ccc(OC(C)OCC)cc3)CC2)cc1
InChIInChI=1S/C36H48O6/c1-7-37-26(4)40-33-16-10-29(11-17-33)30-22-24-36(25-23-30,31-12-18-34(19-13-31)41-27(5)38-8-2)32-14-20-35(21-15-32)42-28(6)39-9-3/h10-21,26-28,30H,7-9,22-25H2,1-6H3
InChIKeyVLDVLTOZRRYKPA-UHFFFAOYSA-N
XLogP8.61
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.77
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
3-[[4-[1,4-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]cyclohexyl]phenoxy]methyl]-3-ethyloxetane
CID 59386217
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
4-(1-ethoxyethoxy)aniline
CID 139920192
1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene
CID 150673745
1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene
CID 90780259
1-(1-ethoxyethoxy)-4-[4-(1-ethoxyethoxy)phenyl]tellanylbenzene
CID 140901390
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 139654696
2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene
CID 69264851
4-[4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]phenyl]-2,5-dimethylhexan-2-amine
CID 123490270
bis[4-(1-ethoxyethoxy)phenyl]-phenylsulfanium
CID 18945784

Frequently Asked Questions

What is the IUPAC name of 1-[1,4-bis[4-(1-ethoxyethoxy)phenyl]cyclohexyl]-4-(1-ethoxyethoxy)benzene?
The IUPAC name of 1-[1,4-bis[4-(1-ethoxyethoxy)phenyl]cyclohexyl]-4-(1-ethoxyethoxy)benzene (CID 90276548) is 1-[1,4-bis[4-(1-ethoxyethoxy)phenyl]cyclohexyl]-4-(1-ethoxyethoxy)benzene.
What is the SMILES notation for 1-[1,4-bis[4-(1-ethoxyethoxy)phenyl]cyclohexyl]-4-(1-ethoxyethoxy)benzene?
The canonical SMILES for 1-[1,4-bis[4-(1-ethoxyethoxy)phenyl]cyclohexyl]-4-(1-ethoxyethoxy)benzene is CCOC(C)Oc1ccc(C2CCC(c3ccc(OC(C)OCC)cc3)(c3ccc(OC(C)OCC)cc3)CC2)cc1.
What is the InChIKey of 1-[1,4-bis[4-(1-ethoxyethoxy)phenyl]cyclohexyl]-4-(1-ethoxyethoxy)benzene?
The InChIKey is VLDVLTOZRRYKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48O6/c1-7-37-26(4)40-33-16-10-29(11-17-33)30-22-24-36(25-23-30,31-12-18-34(19-13-31)41-27(5)38-8-2)32-14-20-35(21-15-32)42-28(6)39-9-3/h10-21,26-28,30H,7-9,22-25H2,1-6H3.
What are the key properties of 1-[1,4-bis[4-(1-ethoxyethoxy)phenyl]cyclohexyl]-4-(1-ethoxyethoxy)benzene?
1-[1,4-bis[4-(1-ethoxyethoxy)phenyl]cyclohexyl]-4-(1-ethoxyethoxy)benzene has a molecular weight of 576.77 g/mol, XLogP of 8.61, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,4-bis[4-(1-ethoxyethoxy)phenyl]cyclohexyl]-4-(1-ethoxyethoxy)benzene is sourced from PubChem (CID 90276548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).