6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol

C16H34O3 — CID 142777284

IUPAC6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol
SMILESCC(C)(CCCCCO)OC(C)(C)CCCCCO
InChIInChI=1S/C16H34O3/c1-15(2,11-7-5-9-13-17)19-16(3,4)12-8-6-10-14-18/h17-18H,5-14H2,1-4H3
InChIKeyOFZLWVLYAMKSDH-UHFFFAOYSA-N
MW274.44 g/mol
LogP3.67
Rot. Bonds12

About 6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol

6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol (PubChem CID 142777284) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is 6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol.

Molecular Properties

Compound Name6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol
PubChem CID142777284
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol
SMILESCC(C)(CCCCCO)OC(C)(C)CCCCCO
InChIInChI=1S/C16H34O3/c1-15(2,11-7-5-9-13-17)19-16(3,4)12-8-6-10-14-18/h17-18H,5-14H2,1-4H3
InChIKeyOFZLWVLYAMKSDH-UHFFFAOYSA-N
XLogP3.67
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 53.67
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

5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol
CID 142783625
7-methoxy-7-methyloctan-1-ol
CID 175444354
5-methyl-5-propan-2-yloxyhexan-1-ol
CID 54256452
7-chloro-7-methyloctan-1-ol
CID 139625698
6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol
CID 169099356
19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol
CID 139975376
6-methyl-6-pentylundecane-1,11-diol
CID 87660447
4-methyl-4-octyldodecan-1-ol
CID 87375187
7,7-dimethyldocosan-1-ol
CID 150860437
methoxymethane;octane-1,8-diol
CID 175193596
4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716
4,4-dimethylpentan-1-ol;tungsten
CID 140674577

Frequently Asked Questions

What is the IUPAC name of 6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol?
The IUPAC name of 6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol (CID 142777284) is 6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol.
What is the SMILES notation for 6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol?
The canonical SMILES for 6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol is CC(C)(CCCCCO)OC(C)(C)CCCCCO.
What is the InChIKey of 6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol?
The InChIKey is OFZLWVLYAMKSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-15(2,11-7-5-9-13-17)19-16(3,4)12-8-6-10-14-18/h17-18H,5-14H2,1-4H3.
What are the key properties of 6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol?
6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol has a molecular weight of 274.44 g/mol, XLogP of 3.67, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol is sourced from PubChem (CID 142777284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).