3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol

C13H24O2 — CID 66368346

IUPAC3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol
SMILESCC1CC(OC2CC(O)C2)CC(C)(C)C1
InChIInChI=1S/C13H24O2/c1-9-4-12(8-13(2,3)7-9)15-11-5-10(14)6-11/h9-12,14H,4-8H2,1-3H3
InChIKeyADVZPQQGLMWMQQ-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.74
Rot. Bonds2

About 3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol

3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol (PubChem CID 66368346) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol.

Molecular Properties

Compound Name3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol
PubChem CID66368346
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol
SMILESCC1CC(OC2CC(O)C2)CC(C)(C)C1
InChIInChI=1S/C13H24O2/c1-9-4-12(8-13(2,3)7-9)15-11-5-10(14)6-11/h9-12,14H,4-8H2,1-3H3
InChIKeyADVZPQQGLMWMQQ-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol?
The IUPAC name of 3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol (CID 66368346) is 3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol.
What is the SMILES notation for 3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol?
The canonical SMILES for 3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol is CC1CC(OC2CC(O)C2)CC(C)(C)C1.
What is the InChIKey of 3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol?
The InChIKey is ADVZPQQGLMWMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-9-4-12(8-13(2,3)7-9)15-11-5-10(14)6-11/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol?
3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol has a molecular weight of 212.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol is sourced from PubChem (CID 66368346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).