3-(cyclohexylmethyl)-2,2,5,5-tetramethyloxolan-3-ol

C15H28O2 — CID 79927238

IUPAC3-(cyclohexylmethyl)-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)CC(O)(CC2CCCCC2)C(C)(C)O1
InChIInChI=1S/C15H28O2/c1-13(2)11-15(16,14(3,4)17-13)10-12-8-6-5-7-9-12/h12,16H,5-11H2,1-4H3
InChIKeyPDAGCGPUPAOOMN-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.67
Rot. Bonds2

About 3-(cyclohexylmethyl)-2,2,5,5-tetramethyloxolan-3-ol

3-(cyclohexylmethyl)-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79927238) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79927238
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3-(cyclohexylmethyl)-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)CC(O)(CC2CCCCC2)C(C)(C)O1
InChIInChI=1S/C15H28O2/c1-13(2)11-15(16,14(3,4)17-13)10-12-8-6-5-7-9-12/h12,16H,5-11H2,1-4H3
InChIKeyPDAGCGPUPAOOMN-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylmethyl)-2,2-dimethylcyclopentan-1-ol
CID 79862326
2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile
CID 79934497
3-[1-(aminomethyl)cyclohexyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79933174
3-hexyl-2,2,5,5-tetramethyloxolan-3-ol
CID 79928233
1-methyl-9-[(1,2,2,3-tetramethylcyclopropyl)methyl]cycloheptadecane
CID 123372784
3-benzyl-2,2,5,5-tetramethyloxolan-3-ol
CID 79928120
3-(cyclopentylmethyl)-5,5-dimethylthian-3-ol
CID 79947542
1-(cyclopentylmethyl)-3,3,5-trimethylcyclohexan-1-ol
CID 65147728
3-(cyclopentylmethyl)-3-methylcyclopentan-1-ol
CID 116539899
methyl 2-chloro-3-(cyclohexylmethyl)-3-methyloxirane-2-carboxylate
CID 165447779
1-(cyclohexylmethyl)-3-propan-2-ylcyclobutan-1-ol
CID 103563992
cyclotetradecylmethanol
CID 23468347

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 3-(cyclohexylmethyl)-2,2,5,5-tetramethyloxolan-3-ol (CID 79927238) is 3-(cyclohexylmethyl)-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 3-(cyclohexylmethyl)-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 3-(cyclohexylmethyl)-2,2,5,5-tetramethyloxolan-3-ol is CC1(C)CC(O)(CC2CCCCC2)C(C)(C)O1.
What is the InChIKey of 3-(cyclohexylmethyl)-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is PDAGCGPUPAOOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-13(2)11-15(16,14(3,4)17-13)10-12-8-6-5-7-9-12/h12,16H,5-11H2,1-4H3.
What are the key properties of 3-(cyclohexylmethyl)-2,2,5,5-tetramethyloxolan-3-ol?
3-(cyclohexylmethyl)-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 240.39 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79927238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).