5-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylpentan-1-ol

C14H30O3 — CID 11791485

IUPAC5-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylpentan-1-ol
SMILESCC(C)(CO)CCCOCCCC(C)(C)CO
InChIInChI=1S/C14H30O3/c1-13(2,11-15)7-5-9-17-10-6-8-14(3,4)12-16/h15-16H,5-12H2,1-4H3
InChIKeyHNQAWXUFVQFLCS-UHFFFAOYSA-N
MW246.39 g/mol
LogP2.60
Rot. Bonds10

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

5-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylpentan-1-ol (PubChem CID 11791485) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 5-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylpentan-1-ol
PubChem CID11791485
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name5-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylpentan-1-ol
SMILESCC(C)(CO)CCCOCCCC(C)(C)CO
InChIInChI=1S/C14H30O3/c1-13(2,11-15)7-5-9-17-10-6-8-14(3,4)12-16/h15-16H,5-12H2,1-4H3
InChIKeyHNQAWXUFVQFLCS-UHFFFAOYSA-N
XLogP2.60
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 52.60
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

1,5-Pentanediol, 3,3-diethyl-
CID 3039726
5-[2-(5-Hydroxy-4,4-dimethylpentyloxy)ethoxy]-2,2-dimethylpentan-1-ol
CID 9943876
6-(5-Hydroxy-4,4-dimethylpentyloxy)-2,2-dimethylhexan-1-ol
CID 11470973
2-(Ethoxymethyl)-2,4-dimethyl-1,5-pentanediol
CID 219612
2-(Methoxymethyl)-2,4-dimethylpentane-1,5-diol
CID 220007
(3-Methyloxan-3-yl)methanol
CID 59824639
[3-(Methoxymethyl)oxan-3-yl]methanol
CID 105794728
2-(4-Methyloxan-4-yl)ethan-1-ol
CID 130123530
2,2-Dimethyl-1,5-pentanediol
CID 10464381
Ywbcsrddqzonfn-uhfffaoysa-
CID 11137622
5-Methoxy-2,2-dimethylpentan-1-ol
CID 66026499
2,2,4-Trimethylpentane-1,5-diol
CID 12674040

Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylpentan-1-ol?
The IUPAC name of 5-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylpentan-1-ol (CID 11791485) is 5-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylpentan-1-ol.
What is the SMILES notation for 5-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylpentan-1-ol?
The canonical SMILES for 5-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylpentan-1-ol is CC(C)(CO)CCCOCCCC(C)(C)CO.
What is the InChIKey of 5-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylpentan-1-ol?
The InChIKey is HNQAWXUFVQFLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-13(2,11-15)7-5-9-17-10-6-8-14(3,4)12-16/h15-16H,5-12H2,1-4H3.
What are the key properties of 5-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylpentan-1-ol?
5-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylpentan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylpentan-1-ol is sourced from PubChem (CID 11791485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).