5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol

C14H30O3 — CID 142783625

IUPAC5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol
SMILESCC(C)(CCCCO)OC(C)(C)CCCCO
InChIInChI=1S/C14H30O3/c1-13(2,9-5-7-11-15)17-14(3,4)10-6-8-12-16/h15-16H,5-12H2,1-4H3
InChIKeyGYWFGSGJXXRSGI-UHFFFAOYSA-N
MW246.39 g/mol
LogP2.89
Rot. Bonds10

About 5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol

5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol (PubChem CID 142783625) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol.

Molecular Properties

Compound Name5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol
PubChem CID142783625
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol
SMILESCC(C)(CCCCO)OC(C)(C)CCCCO
InChIInChI=1S/C14H30O3/c1-13(2,9-5-7-11-15)17-14(3,4)10-6-8-12-16/h15-16H,5-12H2,1-4H3
InChIKeyGYWFGSGJXXRSGI-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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

6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol
CID 142777284
7-methoxy-7-methyloctan-1-ol
CID 175444354
5-methyl-5-propan-2-yloxyhexan-1-ol
CID 54256452
4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716
6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol
CID 169099356
4,4-dimethylpentan-1-ol;tungsten
CID 140674577
4-(methoxyamino)-4-methylpentan-1-ol
CID 146333105
5-amino-5-methylhexan-1-ol;hydrochloride
CID 172915971
7-chloro-7-methyloctan-1-ol
CID 139625698
methyl 2-amino-6-hydroxy-2-methylhexanoate
CID 88883524
2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile
CID 14298742
19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol
CID 139975376

Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol?
The IUPAC name of 5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol (CID 142783625) is 5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol.
What is the SMILES notation for 5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol?
The canonical SMILES for 5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol is CC(C)(CCCCO)OC(C)(C)CCCCO.
What is the InChIKey of 5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol?
The InChIKey is GYWFGSGJXXRSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-13(2,9-5-7-11-15)17-14(3,4)10-6-8-12-16/h15-16H,5-12H2,1-4H3.
What are the key properties of 5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol?
5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 2.89, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol is sourced from PubChem (CID 142783625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).