2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol

C12H24O2 — CID 139609797

IUPAC2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCCCC1C(C)(C)O
InChIInChI=1S/C12H24O2/c1-11(2,13)9-7-5-6-8-10(9)12(3,4)14/h9-10,13-14H,5-8H2,1-4H3
InChIKeyRMLRJGODYWIDJZ-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.33
Rot. Bonds2

About 2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol

2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol (PubChem CID 139609797) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
PubChem CID139609797
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCCCC1C(C)(C)O
InChIInChI=1S/C12H24O2/c1-11(2,13)9-7-5-6-8-10(9)12(3,4)14/h9-10,13-14H,5-8H2,1-4H3
InChIKeyRMLRJGODYWIDJZ-UHFFFAOYSA-N
XLogP2.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The IUPAC name of 2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol (CID 139609797) is 2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol.
What is the SMILES notation for 2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The canonical SMILES for 2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol is CC(C)(O)C1CCCCC1C(C)(C)O.
What is the InChIKey of 2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The InChIKey is RMLRJGODYWIDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-11(2,13)9-7-5-6-8-10(9)12(3,4)14/h9-10,13-14H,5-8H2,1-4H3.
What are the key properties of 2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol has a molecular weight of 200.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol is sourced from PubChem (CID 139609797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).