[5-(2,2,5,7-tetramethyloctan-4-yloxymethyl)oxolan-2-yl]methanol

C18H36O3 — CID 167012951

IUPAC[5-(2,2,5,7-tetramethyloctan-4-yloxymethyl)oxolan-2-yl]methanol
SMILESCC(C)CC(C)C(CC(C)(C)C)OCC1CCC(CO)O1
InChIInChI=1S/C18H36O3/c1-13(2)9-14(3)17(10-18(4,5)6)20-12-16-8-7-15(11-19)21-16/h13-17,19H,7-12H2,1-6H3
InChIKeyQOOHJWDSTYVLLX-UHFFFAOYSA-N
MW300.48 g/mol
LogP4.03
Rot. Bonds8

About [5-(2,2,5,7-tetramethyloctan-4-yloxymethyl)oxolan-2-yl]methanol

[5-(2,2,5,7-tetramethyloctan-4-yloxymethyl)oxolan-2-yl]methanol (PubChem CID 167012951) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is [5-(2,2,5,7-tetramethyloctan-4-yloxymethyl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(2,2,5,7-tetramethyloctan-4-yloxymethyl)oxolan-2-yl]methanol
PubChem CID167012951
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name[5-(2,2,5,7-tetramethyloctan-4-yloxymethyl)oxolan-2-yl]methanol
SMILESCC(C)CC(C)C(CC(C)(C)C)OCC1CCC(CO)O1
InChIInChI=1S/C18H36O3/c1-13(2)9-14(3)17(10-18(4,5)6)20-12-16-8-7-15(11-19)21-16/h13-17,19H,7-12H2,1-6H3
InChIKeyQOOHJWDSTYVLLX-UHFFFAOYSA-N
XLogP4.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2,5,7-tetramethyloctan-4-yloxymethyl)oxolan-2-yl]methanol?
The IUPAC name of [5-(2,2,5,7-tetramethyloctan-4-yloxymethyl)oxolan-2-yl]methanol (CID 167012951) is [5-(2,2,5,7-tetramethyloctan-4-yloxymethyl)oxolan-2-yl]methanol.
What is the SMILES notation for [5-(2,2,5,7-tetramethyloctan-4-yloxymethyl)oxolan-2-yl]methanol?
The canonical SMILES for [5-(2,2,5,7-tetramethyloctan-4-yloxymethyl)oxolan-2-yl]methanol is CC(C)CC(C)C(CC(C)(C)C)OCC1CCC(CO)O1.
What is the InChIKey of [5-(2,2,5,7-tetramethyloctan-4-yloxymethyl)oxolan-2-yl]methanol?
The InChIKey is QOOHJWDSTYVLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-13(2)9-14(3)17(10-18(4,5)6)20-12-16-8-7-15(11-19)21-16/h13-17,19H,7-12H2,1-6H3.
What are the key properties of [5-(2,2,5,7-tetramethyloctan-4-yloxymethyl)oxolan-2-yl]methanol?
[5-(2,2,5,7-tetramethyloctan-4-yloxymethyl)oxolan-2-yl]methanol has a molecular weight of 300.48 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2,5,7-tetramethyloctan-4-yloxymethyl)oxolan-2-yl]methanol is sourced from PubChem (CID 167012951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).