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

C18H36O3 — CID 11403838

IUPAC5-[5-(5-hydroxy-4,4-dimethylpentyl)oxolan-2-yl]-2,2-dimethylpentan-1-ol
SMILESCC(C)(CO)CCCC1CCC(CCCC(C)(C)CO)O1
InChIInChI=1S/C18H36O3/c1-17(2,13-19)11-5-7-15-9-10-16(21-15)8-6-12-18(3,4)14-20/h15-16,19-20H,5-14H2,1-4H3
InChIKeyLIWSZZLAAZSPSM-UHFFFAOYSA-N
MW300.48 g/mol
LogP3.91
Rot. Bonds10

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

5-[5-(5-hydroxy-4,4-dimethylpentyl)oxolan-2-yl]-2,2-dimethylpentan-1-ol (PubChem CID 11403838) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 5-[5-(5-hydroxy-4,4-dimethylpentyl)oxolan-2-yl]-2,2-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[5-(5-hydroxy-4,4-dimethylpentyl)oxolan-2-yl]-2,2-dimethylpentan-1-ol
PubChem CID11403838
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name5-[5-(5-hydroxy-4,4-dimethylpentyl)oxolan-2-yl]-2,2-dimethylpentan-1-ol
SMILESCC(C)(CO)CCCC1CCC(CCCC(C)(C)CO)O1
InChIInChI=1S/C18H36O3/c1-17(2,13-19)11-5-7-15-9-10-16(21-15)8-6-12-18(3,4)14-20/h15-16,19-20H,5-14H2,1-4H3
InChIKeyLIWSZZLAAZSPSM-UHFFFAOYSA-N
XLogP3.91
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(5-hydroxy-4,4-dimethylpentyl)oxolan-2-yl]-2,2-dimethylpentan-1-ol?
The IUPAC name of 5-[5-(5-hydroxy-4,4-dimethylpentyl)oxolan-2-yl]-2,2-dimethylpentan-1-ol (CID 11403838) is 5-[5-(5-hydroxy-4,4-dimethylpentyl)oxolan-2-yl]-2,2-dimethylpentan-1-ol.
What is the SMILES notation for 5-[5-(5-hydroxy-4,4-dimethylpentyl)oxolan-2-yl]-2,2-dimethylpentan-1-ol?
The canonical SMILES for 5-[5-(5-hydroxy-4,4-dimethylpentyl)oxolan-2-yl]-2,2-dimethylpentan-1-ol is CC(C)(CO)CCCC1CCC(CCCC(C)(C)CO)O1.
What is the InChIKey of 5-[5-(5-hydroxy-4,4-dimethylpentyl)oxolan-2-yl]-2,2-dimethylpentan-1-ol?
The InChIKey is LIWSZZLAAZSPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-17(2,13-19)11-5-7-15-9-10-16(21-15)8-6-12-18(3,4)14-20/h15-16,19-20H,5-14H2,1-4H3.
What are the key properties of 5-[5-(5-hydroxy-4,4-dimethylpentyl)oxolan-2-yl]-2,2-dimethylpentan-1-ol?
5-[5-(5-hydroxy-4,4-dimethylpentyl)oxolan-2-yl]-2,2-dimethylpentan-1-ol has a molecular weight of 300.48 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-hydroxy-4,4-dimethylpentyl)oxolan-2-yl]-2,2-dimethylpentan-1-ol is sourced from PubChem (CID 11403838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).