5-[2-(5-hydroxy-3,3-dimethylpentoxy)ethoxy]-3,3-dimethylpentan-1-ol

C16H34O4 — CID 11380742

IUPAC5-[2-(5-hydroxy-3,3-dimethylpentoxy)ethoxy]-3,3-dimethylpentan-1-ol
SMILESCC(C)(CCO)CCOCCOCCC(C)(C)CCO
InChIInChI=1S/C16H34O4/c1-15(2,5-9-17)7-11-19-13-14-20-12-8-16(3,4)6-10-18/h17-18H,5-14H2,1-4H3
InChIKeyIDTLPVJEUPKDMH-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.62
Rot. Bonds13

About 5-[2-(5-hydroxy-3,3-dimethylpentoxy)ethoxy]-3,3-dimethylpentan-1-ol

5-[2-(5-hydroxy-3,3-dimethylpentoxy)ethoxy]-3,3-dimethylpentan-1-ol (PubChem CID 11380742) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is 5-[2-(5-hydroxy-3,3-dimethylpentoxy)ethoxy]-3,3-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[2-(5-hydroxy-3,3-dimethylpentoxy)ethoxy]-3,3-dimethylpentan-1-ol
PubChem CID11380742
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name5-[2-(5-hydroxy-3,3-dimethylpentoxy)ethoxy]-3,3-dimethylpentan-1-ol
SMILESCC(C)(CCO)CCOCCOCCC(C)(C)CCO
InChIInChI=1S/C16H34O4/c1-15(2,5-9-17)7-11-19-13-14-20-12-8-16(3,4)6-10-18/h17-18H,5-14H2,1-4H3
InChIKeyIDTLPVJEUPKDMH-UHFFFAOYSA-N
XLogP2.62
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.62
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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Related Compounds

5-[2-(5-Hydroxy-4,4-dimethylpentyloxy)ethoxy]-2,2-dimethylpentan-1-ol
CID 9943876
2-Ethyl-2-[(5-hydroxy-3-methylpentoxy)methyl]propane-1,3-diol
CID 20554574
6-[2-(6-Hydroxy-3,3-dimethylhexoxy)ethoxy]-4,4-dimethylhexan-1-ol
CID 21303526
5-[3-(5-Hydroxy-3,3-dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol
CID 22737170
5-[3-(5-Hydroxy-4,4-dimethylpentoxy)propoxy]-2,2-dimethylpentan-1-ol
CID 22737284
2-(1,5-Dibutoxy-3-methylpentan-3-yl)-2-(hydroxymethyl)propane-1,3-diol
CID 57063457
2-Tert-butyl-2-[2-[2-(2-tert-butyl-2-ethyl-4,4-dimethylpentoxy)ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol
CID 58734104
7,7,16,16-Tetramethyl-1,4,10,13-tetraoxacyclooctadecane
CID 59046060
2-Tert-butyl-2-[2-[2-[2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol
CID 59560517
2,2-Dimethyl-3-(oxolan-2-ylmethoxy)propan-1-ol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 67711864
5-[3-(4,4-Dimethylpentoxy)propoxy]-2,2-dimethylpentan-1-ol
CID 87965003
5-[3-(3,3-Dimethylpentoxy)propoxy]-3,3-dimethylpentan-1-ol
CID 87965581

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-hydroxy-3,3-dimethylpentoxy)ethoxy]-3,3-dimethylpentan-1-ol?
The IUPAC name of 5-[2-(5-hydroxy-3,3-dimethylpentoxy)ethoxy]-3,3-dimethylpentan-1-ol (CID 11380742) is 5-[2-(5-hydroxy-3,3-dimethylpentoxy)ethoxy]-3,3-dimethylpentan-1-ol.
What is the SMILES notation for 5-[2-(5-hydroxy-3,3-dimethylpentoxy)ethoxy]-3,3-dimethylpentan-1-ol?
The canonical SMILES for 5-[2-(5-hydroxy-3,3-dimethylpentoxy)ethoxy]-3,3-dimethylpentan-1-ol is CC(C)(CCO)CCOCCOCCC(C)(C)CCO.
What is the InChIKey of 5-[2-(5-hydroxy-3,3-dimethylpentoxy)ethoxy]-3,3-dimethylpentan-1-ol?
The InChIKey is IDTLPVJEUPKDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4/c1-15(2,5-9-17)7-11-19-13-14-20-12-8-16(3,4)6-10-18/h17-18H,5-14H2,1-4H3.
What are the key properties of 5-[2-(5-hydroxy-3,3-dimethylpentoxy)ethoxy]-3,3-dimethylpentan-1-ol?
5-[2-(5-hydroxy-3,3-dimethylpentoxy)ethoxy]-3,3-dimethylpentan-1-ol has a molecular weight of 290.44 g/mol, XLogP of 2.62, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-hydroxy-3,3-dimethylpentoxy)ethoxy]-3,3-dimethylpentan-1-ol is sourced from PubChem (CID 11380742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).