6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol

C15H32O3 — CID 11470973

IUPAC6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol
SMILESCC(C)(CO)CCCCOCCCC(C)(C)CO
InChIInChI=1S/C15H32O3/c1-14(2,12-16)8-5-6-10-18-11-7-9-15(3,4)13-17/h16-17H,5-13H2,1-4H3
InChIKeyWQRXBUWMZLKKIM-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.99
Rot. Bonds11

About 6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol

6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol (PubChem CID 11470973) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is 6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol.

Molecular Properties

Compound Name6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol
PubChem CID11470973
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Name6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol
SMILESCC(C)(CO)CCCCOCCCC(C)(C)CO
InChIInChI=1S/C15H32O3/c1-14(2,12-16)8-5-6-10-18-11-7-9-15(3,4)13-17/h16-17H,5-13H2,1-4H3
InChIKeyWQRXBUWMZLKKIM-UHFFFAOYSA-N
XLogP2.99
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(6-hydroxy-5,5-dimethylhexoxy)-2,2-dimethylheptan-1-ol
CID 11426254
7-(6-hydroxy-5,5-dimethylhexoxy)-3,3-dimethylheptan-1-ol
CID 59111002
7-(6-hydroxy-5,5-dimethylhexoxy)-3,3-dimethylheptanoic acid
CID 22606779
bis(6-hydroxy-5,5-dimethylhexyl) hydrogen phosphate
CID 11638943
[8-(5,5-dimethyl-9-phosphonooxynonoxy)-4,4-dimethyloctyl] dihydrogen phosphate
CID 22085342
2,2-dimethyldecan-1-ol
CID 520069
2-[8-[10-hydroxy-9,9-bis(hydroxymethyl)decoxy]octyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88594791
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol
CID 82795380
6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol
CID 11572614
2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol
CID 64811638
3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
CID 14512536

Frequently Asked Questions

What is the IUPAC name of 6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol?
The IUPAC name of 6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol (CID 11470973) is 6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol.
What is the SMILES notation for 6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol?
The canonical SMILES for 6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol is CC(C)(CO)CCCCOCCCC(C)(C)CO.
What is the InChIKey of 6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol?
The InChIKey is WQRXBUWMZLKKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3/c1-14(2,12-16)8-5-6-10-18-11-7-9-15(3,4)13-17/h16-17H,5-13H2,1-4H3.
What are the key properties of 6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol?
6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 2.99, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol is sourced from PubChem (CID 11470973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).