5-[6-(5-hydroxy-4,4-dimethylpentyl)oxan-2-yl]-2,2-dimethylpentan-1-ol

C19H38O3 — CID 11324492

IUPAC5-[6-(5-hydroxy-4,4-dimethylpentyl)oxan-2-yl]-2,2-dimethylpentan-1-ol
SMILESCC(C)(CO)CCCC1CCCC(CCCC(C)(C)CO)O1
InChIInChI=1S/C19H38O3/c1-18(2,14-20)12-6-10-16-8-5-9-17(22-16)11-7-13-19(3,4)15-21/h16-17,20-21H,5-15H2,1-4H3
InChIKeyGOLMCPAOTVYELI-UHFFFAOYSA-N
MW314.51 g/mol
LogP4.30
Rot. Bonds10

About 5-[6-(5-hydroxy-4,4-dimethylpentyl)oxan-2-yl]-2,2-dimethylpentan-1-ol

5-[6-(5-hydroxy-4,4-dimethylpentyl)oxan-2-yl]-2,2-dimethylpentan-1-ol (PubChem CID 11324492) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is 5-[6-(5-hydroxy-4,4-dimethylpentyl)oxan-2-yl]-2,2-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[6-(5-hydroxy-4,4-dimethylpentyl)oxan-2-yl]-2,2-dimethylpentan-1-ol
PubChem CID11324492
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name5-[6-(5-hydroxy-4,4-dimethylpentyl)oxan-2-yl]-2,2-dimethylpentan-1-ol
SMILESCC(C)(CO)CCCC1CCCC(CCCC(C)(C)CO)O1
InChIInChI=1S/C19H38O3/c1-18(2,14-20)12-6-10-16-8-5-9-17(22-16)11-7-13-19(3,4)15-21/h16-17,20-21H,5-15H2,1-4H3
InChIKeyGOLMCPAOTVYELI-UHFFFAOYSA-N
XLogP4.30
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(5-hydroxy-4,4-dimethylpentyl)oxan-2-yl]-2,2-dimethylpentan-1-ol?
The IUPAC name of 5-[6-(5-hydroxy-4,4-dimethylpentyl)oxan-2-yl]-2,2-dimethylpentan-1-ol (CID 11324492) is 5-[6-(5-hydroxy-4,4-dimethylpentyl)oxan-2-yl]-2,2-dimethylpentan-1-ol.
What is the SMILES notation for 5-[6-(5-hydroxy-4,4-dimethylpentyl)oxan-2-yl]-2,2-dimethylpentan-1-ol?
The canonical SMILES for 5-[6-(5-hydroxy-4,4-dimethylpentyl)oxan-2-yl]-2,2-dimethylpentan-1-ol is CC(C)(CO)CCCC1CCCC(CCCC(C)(C)CO)O1.
What is the InChIKey of 5-[6-(5-hydroxy-4,4-dimethylpentyl)oxan-2-yl]-2,2-dimethylpentan-1-ol?
The InChIKey is GOLMCPAOTVYELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3/c1-18(2,14-20)12-6-10-16-8-5-9-17(22-16)11-7-13-19(3,4)15-21/h16-17,20-21H,5-15H2,1-4H3.
What are the key properties of 5-[6-(5-hydroxy-4,4-dimethylpentyl)oxan-2-yl]-2,2-dimethylpentan-1-ol?
5-[6-(5-hydroxy-4,4-dimethylpentyl)oxan-2-yl]-2,2-dimethylpentan-1-ol has a molecular weight of 314.51 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(5-hydroxy-4,4-dimethylpentyl)oxan-2-yl]-2,2-dimethylpentan-1-ol is sourced from PubChem (CID 11324492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).