2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol

C21H40O4 — CID 164590091

IUPAC2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol
SMILESCC1CC(C(C)(C)C2CCC(OCCO)C(C)C2)CCC1OCCO
InChIInChI=1S/C21H40O4/c1-15-13-17(5-7-19(15)24-11-9-22)21(3,4)18-6-8-20(16(2)14-18)25-12-10-23/h15-20,22-23H,5-14H2,1-4H3
InChIKeyUHHWGTWMWDVZHD-UHFFFAOYSA-N
MW356.55 g/mol
LogP3.64
Rot. Bonds8

About 2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol

2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol (PubChem CID 164590091) has the molecular formula C21H40O4 and a molecular weight of 356.55 g/mol. Its IUPAC name is 2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol.

Molecular Properties

Compound Name2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol
PubChem CID164590091
Molecular FormulaC21H40O4
Molecular Weight356.55 g/mol
Exact Mass356.29
IUPAC Name2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol
SMILESCC1CC(C(C)(C)C2CCC(OCCO)C(C)C2)CCC1OCCO
InChIInChI=1S/C21H40O4/c1-15-13-17(5-7-19(15)24-11-9-22)21(3,4)18-6-8-20(16(2)14-18)25-12-10-23/h15-20,22-23H,5-14H2,1-4H3
InChIKeyUHHWGTWMWDVZHD-UHFFFAOYSA-N
XLogP3.64
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol?
The IUPAC name of 2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol (CID 164590091) is 2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol.
What is the SMILES notation for 2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol?
The canonical SMILES for 2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol is CC1CC(C(C)(C)C2CCC(OCCO)C(C)C2)CCC1OCCO.
What is the InChIKey of 2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol?
The InChIKey is UHHWGTWMWDVZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O4/c1-15-13-17(5-7-19(15)24-11-9-22)21(3,4)18-6-8-20(16(2)14-18)25-12-10-23/h15-20,22-23H,5-14H2,1-4H3.
What are the key properties of 2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol?
2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol has a molecular weight of 356.55 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol is sourced from PubChem (CID 164590091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).