3-benzyl-6-(oxolan-2-yl)hexan-3-ol

C17H26O2 — CID 79008182

IUPAC3-benzyl-6-(oxolan-2-yl)hexan-3-ol
SMILESCCC(O)(CCCC1CCCO1)Cc1ccccc1
InChIInChI=1S/C17H26O2/c1-2-17(18,14-15-8-4-3-5-9-15)12-6-10-16-11-7-13-19-16/h3-5,8-9,16,18H,2,6-7,10-14H2,1H3
InChIKeyGRMADLSGJVOZIO-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.72
Rot. Bonds7

About 3-benzyl-6-(oxolan-2-yl)hexan-3-ol

3-benzyl-6-(oxolan-2-yl)hexan-3-ol (PubChem CID 79008182) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 3-benzyl-6-(oxolan-2-yl)hexan-3-ol.

Molecular Properties

Compound Name3-benzyl-6-(oxolan-2-yl)hexan-3-ol
PubChem CID79008182
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name3-benzyl-6-(oxolan-2-yl)hexan-3-ol
SMILESCCC(O)(CCCC1CCCO1)Cc1ccccc1
InChIInChI=1S/C17H26O2/c1-2-17(18,14-15-8-4-3-5-9-15)12-6-10-16-11-7-13-19-16/h3-5,8-9,16,18H,2,6-7,10-14H2,1H3
InChIKeyGRMADLSGJVOZIO-UHFFFAOYSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(oxolan-2-yl)-3-phenylhexan-3-amine
CID 65166888
1-(oxolan-2-yl)-3-phenylpentan-3-ol
CID 65162332
1-(oxolan-2-yl)-3-phenylhexan-3-ol
CID 65162334
2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol
CID 156747530
2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol
CID 66058100
2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
CID 79450832
dibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium
CID 20531619
3-ethyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166782
2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol
CID 79450280
6-(oxolan-2-yl)-2-phenylhexan-3-ol
CID 65162298
3-methyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166780
1-(4-methoxyphenyl)-2-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 65167305

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-(oxolan-2-yl)hexan-3-ol?
The IUPAC name of 3-benzyl-6-(oxolan-2-yl)hexan-3-ol (CID 79008182) is 3-benzyl-6-(oxolan-2-yl)hexan-3-ol.
What is the SMILES notation for 3-benzyl-6-(oxolan-2-yl)hexan-3-ol?
The canonical SMILES for 3-benzyl-6-(oxolan-2-yl)hexan-3-ol is CCC(O)(CCCC1CCCO1)Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-(oxolan-2-yl)hexan-3-ol?
The InChIKey is GRMADLSGJVOZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-2-17(18,14-15-8-4-3-5-9-15)12-6-10-16-11-7-13-19-16/h3-5,8-9,16,18H,2,6-7,10-14H2,1H3.
What are the key properties of 3-benzyl-6-(oxolan-2-yl)hexan-3-ol?
3-benzyl-6-(oxolan-2-yl)hexan-3-ol has a molecular weight of 262.39 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-(oxolan-2-yl)hexan-3-ol is sourced from PubChem (CID 79008182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).