5-[3-(5-hydroxy-3,3-dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol

C17H36O4 — CID 22737170

IUPAC5-[3-(5-hydroxy-3,3-dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol
SMILESCC(C)(CCO)CCOCCCOCCC(C)(C)CCO
InChIInChI=1S/C17H36O4/c1-16(2,6-10-18)8-14-20-12-5-13-21-15-9-17(3,4)7-11-19/h18-19H,5-15H2,1-4H3
InChIKeyJULFFTBTPHOKMJ-UHFFFAOYSA-N
MW304.47 g/mol
LogP3.01
Rot. Bonds14

About 5-[3-(5-hydroxy-3,3-dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol

5-[3-(5-hydroxy-3,3-dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol (PubChem CID 22737170) has the molecular formula C17H36O4 and a molecular weight of 304.47 g/mol. Its IUPAC name is 5-[3-(5-hydroxy-3,3-dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[3-(5-hydroxy-3,3-dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol
PubChem CID22737170
Molecular FormulaC17H36O4
Molecular Weight304.47 g/mol
Exact Mass304.26
IUPAC Name5-[3-(5-hydroxy-3,3-dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol
SMILESCC(C)(CCO)CCOCCCOCCC(C)(C)CCO
InChIInChI=1S/C17H36O4/c1-16(2,6-10-18)8-14-20-12-5-13-21-15-9-17(3,4)7-11-19/h18-19H,5-15H2,1-4H3
InChIKeyJULFFTBTPHOKMJ-UHFFFAOYSA-N
XLogP3.01
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 53.01
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 5-[3-(5-hydroxy-3,3-dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol?
The IUPAC name of 5-[3-(5-hydroxy-3,3-dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol (CID 22737170) is 5-[3-(5-hydroxy-3,3-dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol.
What is the SMILES notation for 5-[3-(5-hydroxy-3,3-dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol?
The canonical SMILES for 5-[3-(5-hydroxy-3,3-dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol is CC(C)(CCO)CCOCCCOCCC(C)(C)CCO.
What is the InChIKey of 5-[3-(5-hydroxy-3,3-dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol?
The InChIKey is JULFFTBTPHOKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4/c1-16(2,6-10-18)8-14-20-12-5-13-21-15-9-17(3,4)7-11-19/h18-19H,5-15H2,1-4H3.
What are the key properties of 5-[3-(5-hydroxy-3,3-dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol?
5-[3-(5-hydroxy-3,3-dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol has a molecular weight of 304.47 g/mol, XLogP of 3.01, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-hydroxy-3,3-dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol is sourced from PubChem (CID 22737170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).