1-(2-cyclohexylpropan-2-yloxy)-2-[3-(2,2,5,5-tetramethylheptan-4-yl)cyclohexa-1,5-dien-1-yl]oxyethanol

C28H50O3 — CID 123695519

IUPAC1-(2-cyclohexylpropan-2-yloxy)-2-[3-(2,2,5,5-tetramethylheptan-4-yl)cyclohexa-1,5-dien-1-yl]oxyethanol
SMILESCCC(C)(C)C(CC(C)(C)C)C1C=C(OCC(O)OC(C)(C)C2CCCCC2)C=CC1
InChIInChI=1S/C28H50O3/c1-9-27(5,6)24(19-26(2,3)4)21-14-13-17-23(18-21)30-20-25(29)31-28(7,8)22-15-11-10-12-16-22/h13,17-18,21-22,24-25,29H,9-12,14-16,19-20H2,1-8H3
InChIKeyMAQKIEDJDYHHQG-UHFFFAOYSA-N
MW434.71 g/mol
LogP7.65
Rot. Bonds10

About 1-(2-cyclohexylpropan-2-yloxy)-2-[3-(2,2,5,5-tetramethylheptan-4-yl)cyclohexa-1,5-dien-1-yl]oxyethanol

1-(2-cyclohexylpropan-2-yloxy)-2-[3-(2,2,5,5-tetramethylheptan-4-yl)cyclohexa-1,5-dien-1-yl]oxyethanol (PubChem CID 123695519) has the molecular formula C28H50O3 and a molecular weight of 434.71 g/mol. Its IUPAC name is 1-(2-cyclohexylpropan-2-yloxy)-2-[3-(2,2,5,5-tetramethylheptan-4-yl)cyclohexa-1,5-dien-1-yl]oxyethanol.

Molecular Properties

Compound Name1-(2-cyclohexylpropan-2-yloxy)-2-[3-(2,2,5,5-tetramethylheptan-4-yl)cyclohexa-1,5-dien-1-yl]oxyethanol
PubChem CID123695519
Molecular FormulaC28H50O3
Molecular Weight434.71 g/mol
Exact Mass434.38
IUPAC Name1-(2-cyclohexylpropan-2-yloxy)-2-[3-(2,2,5,5-tetramethylheptan-4-yl)cyclohexa-1,5-dien-1-yl]oxyethanol
SMILESCCC(C)(C)C(CC(C)(C)C)C1C=C(OCC(O)OC(C)(C)C2CCCCC2)C=CC1
InChIInChI=1S/C28H50O3/c1-9-27(5,6)24(19-26(2,3)4)21-14-13-17-23(18-21)30-20-25(29)31-28(7,8)22-15-11-10-12-16-22/h13,17-18,21-22,24-25,29H,9-12,14-16,19-20H2,1-8H3
InChIKeyMAQKIEDJDYHHQG-UHFFFAOYSA-N
XLogP7.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.71
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-cyclohexylpropan-2-yloxy)-2-[3-(2,2,5,5-tetramethylheptan-4-yl)cyclohexa-1,5-dien-1-yl]oxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpropan-2-yloxy)-2-[3-(2,2,5,5-tetramethylheptan-4-yl)cyclohexa-1,5-dien-1-yl]oxyethanol?
The IUPAC name of 1-(2-cyclohexylpropan-2-yloxy)-2-[3-(2,2,5,5-tetramethylheptan-4-yl)cyclohexa-1,5-dien-1-yl]oxyethanol (CID 123695519) is 1-(2-cyclohexylpropan-2-yloxy)-2-[3-(2,2,5,5-tetramethylheptan-4-yl)cyclohexa-1,5-dien-1-yl]oxyethanol.
What is the SMILES notation for 1-(2-cyclohexylpropan-2-yloxy)-2-[3-(2,2,5,5-tetramethylheptan-4-yl)cyclohexa-1,5-dien-1-yl]oxyethanol?
The canonical SMILES for 1-(2-cyclohexylpropan-2-yloxy)-2-[3-(2,2,5,5-tetramethylheptan-4-yl)cyclohexa-1,5-dien-1-yl]oxyethanol is CCC(C)(C)C(CC(C)(C)C)C1C=C(OCC(O)OC(C)(C)C2CCCCC2)C=CC1.
What is the InChIKey of 1-(2-cyclohexylpropan-2-yloxy)-2-[3-(2,2,5,5-tetramethylheptan-4-yl)cyclohexa-1,5-dien-1-yl]oxyethanol?
The InChIKey is MAQKIEDJDYHHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50O3/c1-9-27(5,6)24(19-26(2,3)4)21-14-13-17-23(18-21)30-20-25(29)31-28(7,8)22-15-11-10-12-16-22/h13,17-18,21-22,24-25,29H,9-12,14-16,19-20H2,1-8H3.
What are the key properties of 1-(2-cyclohexylpropan-2-yloxy)-2-[3-(2,2,5,5-tetramethylheptan-4-yl)cyclohexa-1,5-dien-1-yl]oxyethanol?
1-(2-cyclohexylpropan-2-yloxy)-2-[3-(2,2,5,5-tetramethylheptan-4-yl)cyclohexa-1,5-dien-1-yl]oxyethanol has a molecular weight of 434.71 g/mol, XLogP of 7.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylpropan-2-yloxy)-2-[3-(2,2,5,5-tetramethylheptan-4-yl)cyclohexa-1,5-dien-1-yl]oxyethanol is sourced from PubChem (CID 123695519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).