3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol

C20H38O4 — CID 138483628

IUPAC3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol
SMILESCC(C)(C1CCC(OCCO)CC1)C1CCC(OCCCO)CC1
InChIInChI=1S/C20H38O4/c1-20(2,17-6-10-19(11-7-17)24-15-13-22)16-4-8-18(9-5-16)23-14-3-12-21/h16-19,21-22H,3-15H2,1-2H3
InChIKeyQPWKRUXQUUSYLV-UHFFFAOYSA-N
MW342.52 g/mol
LogP3.54
Rot. Bonds9

About 3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol

3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol (PubChem CID 138483628) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is 3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol
PubChem CID138483628
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol
SMILESCC(C)(C1CCC(OCCO)CC1)C1CCC(OCCCO)CC1
InChIInChI=1S/C20H38O4/c1-20(2,17-6-10-19(11-7-17)24-15-13-22)16-4-8-18(9-5-16)23-14-3-12-21/h16-19,21-22H,3-15H2,1-2H3
InChIKeyQPWKRUXQUUSYLV-UHFFFAOYSA-N
XLogP3.54
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol?
The IUPAC name of 3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol (CID 138483628) is 3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol.
What is the SMILES notation for 3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol?
The canonical SMILES for 3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol is CC(C)(C1CCC(OCCO)CC1)C1CCC(OCCCO)CC1.
What is the InChIKey of 3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol?
The InChIKey is QPWKRUXQUUSYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4/c1-20(2,17-6-10-19(11-7-17)24-15-13-22)16-4-8-18(9-5-16)23-14-3-12-21/h16-19,21-22H,3-15H2,1-2H3.
What are the key properties of 3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol?
3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol has a molecular weight of 342.52 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol is sourced from PubChem (CID 138483628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).