4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol

C40H72O6 — CID 140509318

IUPAC4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol
SMILESCC(OC1CCC(OC(C)OC2CCC(C(C)(C)C3CCC(O)CC3)CC2)CC1)OC1CCC(C(C)(C)C2CCC(O)CC2)CC1
InChIInChI=1S/C40H72O6/c1-27(43-35-19-11-31(12-20-35)39(3,4)29-7-15-33(41)16-8-29)45-37-23-25-38(26-24-37)46-28(2)44-36-21-13-32(14-22-36)40(5,6)30-9-17-34(42)18-10-30/h27-38,41-42H,7-26H2,1-6H3
InChIKeyDCQUAWOOSIXGHF-UHFFFAOYSA-N
MW649.01 g/mol
LogP9.33
Rot. Bonds12

About 4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol

4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol (PubChem CID 140509318) has the molecular formula C40H72O6 and a molecular weight of 649.01 g/mol. Its IUPAC name is 4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol
PubChem CID140509318
Molecular FormulaC40H72O6
Molecular Weight649.01 g/mol
Exact Mass648.53
IUPAC Name4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol
SMILESCC(OC1CCC(OC(C)OC2CCC(C(C)(C)C3CCC(O)CC3)CC2)CC1)OC1CCC(C(C)(C)C2CCC(O)CC2)CC1
InChIInChI=1S/C40H72O6/c1-27(43-35-19-11-31(12-20-35)39(3,4)29-7-15-33(41)16-8-29)45-37-23-25-38(26-24-37)46-28(2)44-36-21-13-32(14-22-36)40(5,6)30-9-17-34(42)18-10-30/h27-38,41-42H,7-26H2,1-6H3
InChIKeyDCQUAWOOSIXGHF-UHFFFAOYSA-N
XLogP9.33
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.01
LogP ≤ 59.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol (CID 140509318) is 4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol is CC(OC1CCC(OC(C)OC2CCC(C(C)(C)C3CCC(O)CC3)CC2)CC1)OC1CCC(C(C)(C)C2CCC(O)CC2)CC1.
What is the InChIKey of 4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is DCQUAWOOSIXGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H72O6/c1-27(43-35-19-11-31(12-20-35)39(3,4)29-7-15-33(41)16-8-29)45-37-23-25-38(26-24-37)46-28(2)44-36-21-13-32(14-22-36)40(5,6)30-9-17-34(42)18-10-30/h27-38,41-42H,7-26H2,1-6H3.
What are the key properties of 4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol?
4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol has a molecular weight of 649.01 g/mol, XLogP of 9.33, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 140509318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).