2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol

C12H24O2 — CID 10219851

IUPAC2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCO
InChIInChI=1S/C12H24O2/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h9-13H,4-8H2,1-3H3/t10-,11+,12-/m1/s1
InChIKeyFVBGFZNFXUIHNC-GRYCIOLGSA-N
MW200.32 g/mol
LogP2.46
Rot. Bonds4

About 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol

2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol (PubChem CID 10219851) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol.

Molecular Properties

Compound Name2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
PubChem CID10219851
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCO
InChIInChI=1S/C12H24O2/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h9-13H,4-8H2,1-3H3/t10-,11+,12-/m1/s1
InChIKeyFVBGFZNFXUIHNC-GRYCIOLGSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol?
The IUPAC name of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol (CID 10219851) is 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol.
What is the SMILES notation for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol?
The canonical SMILES for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCO.
What is the InChIKey of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol?
The InChIKey is FVBGFZNFXUIHNC-GRYCIOLGSA-N. The full InChI is InChI=1S/C12H24O2/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h9-13H,4-8H2,1-3H3/t10-,11+,12-/m1/s1.
What are the key properties of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol?
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol has a molecular weight of 200.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol is sourced from PubChem (CID 10219851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).