5-methyl-6-propan-2-yloxy-2-propylhexan-1-ol

C13H28O2 — CID 164784584

IUPAC5-methyl-6-propan-2-yloxy-2-propylhexan-1-ol
SMILESCCCC(CO)CCC(C)COC(C)C
InChIInChI=1S/C13H28O2/c1-5-6-13(9-14)8-7-12(4)10-15-11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyZVTPQNPEVONCLK-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.24
Rot. Bonds9

About 5-methyl-6-propan-2-yloxy-2-propylhexan-1-ol

5-methyl-6-propan-2-yloxy-2-propylhexan-1-ol (PubChem CID 164784584) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yloxy-2-propylhexan-1-ol.

Molecular Properties

Compound Name5-methyl-6-propan-2-yloxy-2-propylhexan-1-ol
PubChem CID164784584
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name5-methyl-6-propan-2-yloxy-2-propylhexan-1-ol
SMILESCCCC(CO)CCC(C)COC(C)C
InChIInChI=1S/C13H28O2/c1-5-6-13(9-14)8-7-12(4)10-15-11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyZVTPQNPEVONCLK-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(propan-2-yloxymethyl)pentan-1-ol
CID 123951755
1-(2-methylpentoxy)ethanol
CID 173285010
(2R,4R)-4-methyl-2-propylhexan-1-ol
CID 92950667
4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol
CID 138690403
5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol
CID 123449915
3-methyl-4-propan-2-yloxy-N-propylbutan-1-amine
CID 81019972
2-(2-propan-2-yloxyethyl)propane-1,3-diol
CID 79450702
4,6-dimethyl-2-propylheptan-1-ol
CID 122367214
ethane;2-methyl-1-propan-2-yloxybutane
CID 143253111
5-methoxy-2,5-dimethyl-1-propan-2-yloxyheptane
CID 89128367
2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol
CID 10655741
(2S)-2-propyldecan-1-ol
CID 10176571

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propan-2-yloxy-2-propylhexan-1-ol?
The IUPAC name of 5-methyl-6-propan-2-yloxy-2-propylhexan-1-ol (CID 164784584) is 5-methyl-6-propan-2-yloxy-2-propylhexan-1-ol.
What is the SMILES notation for 5-methyl-6-propan-2-yloxy-2-propylhexan-1-ol?
The canonical SMILES for 5-methyl-6-propan-2-yloxy-2-propylhexan-1-ol is CCCC(CO)CCC(C)COC(C)C.
What is the InChIKey of 5-methyl-6-propan-2-yloxy-2-propylhexan-1-ol?
The InChIKey is ZVTPQNPEVONCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-5-6-13(9-14)8-7-12(4)10-15-11(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 5-methyl-6-propan-2-yloxy-2-propylhexan-1-ol?
5-methyl-6-propan-2-yloxy-2-propylhexan-1-ol has a molecular weight of 216.36 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propan-2-yloxy-2-propylhexan-1-ol is sourced from PubChem (CID 164784584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).