2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol

C19H36O4 — CID 151509941

IUPAC2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol
SMILESCC(CC1CCCCC1OCCO)C1CCCCC1OCCO
InChIInChI=1S/C19H36O4/c1-15(17-7-3-5-9-19(17)23-13-11-21)14-16-6-2-4-8-18(16)22-12-10-20/h15-21H,2-14H2,1H3
InChIKeyPSFWGXPSPOHCIP-UHFFFAOYSA-N
MW328.49 g/mol
LogP3.15
Rot. Bonds9

About 2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol

2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol (PubChem CID 151509941) has the molecular formula C19H36O4 and a molecular weight of 328.49 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol.

Molecular Properties

Compound Name2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol
PubChem CID151509941
Molecular FormulaC19H36O4
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Name2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol
SMILESCC(CC1CCCCC1OCCO)C1CCCCC1OCCO
InChIInChI=1S/C19H36O4/c1-15(17-7-3-5-9-19(17)23-13-11-21)14-16-6-2-4-8-18(16)22-12-10-20/h15-21H,2-14H2,1H3
InChIKeyPSFWGXPSPOHCIP-UHFFFAOYSA-N
XLogP3.15
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol?
The IUPAC name of 2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol (CID 151509941) is 2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol.
What is the SMILES notation for 2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol?
The canonical SMILES for 2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol is CC(CC1CCCCC1OCCO)C1CCCCC1OCCO.
What is the InChIKey of 2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol?
The InChIKey is PSFWGXPSPOHCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4/c1-15(17-7-3-5-9-19(17)23-13-11-21)14-16-6-2-4-8-18(16)22-12-10-20/h15-21H,2-14H2,1H3.
What are the key properties of 2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol?
2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol has a molecular weight of 328.49 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol is sourced from PubChem (CID 151509941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).