2-cyclohexylpropan-2-yl hydroxy carbonate

C10H18O4 — CID 23207841

IUPAC2-cyclohexylpropan-2-yl hydroxy carbonate
SMILESCC(C)(OC(=O)OO)C1CCCCC1
InChIInChI=1S/C10H18O4/c1-10(2,13-9(11)14-12)8-6-4-3-5-7-8/h8,12H,3-7H2,1-2H3
InChIKeyOEMORFIFLGISHO-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.97
Rot. Bonds2

About 2-cyclohexylpropan-2-yl hydroxy carbonate

2-cyclohexylpropan-2-yl hydroxy carbonate (PubChem CID 23207841) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-cyclohexylpropan-2-yl hydroxy carbonate.

Molecular Properties

Compound Name2-cyclohexylpropan-2-yl hydroxy carbonate
PubChem CID23207841
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-cyclohexylpropan-2-yl hydroxy carbonate
SMILESCC(C)(OC(=O)OO)C1CCCCC1
InChIInChI=1S/C10H18O4/c1-10(2,13-9(11)14-12)8-6-4-3-5-7-8/h8,12H,3-7H2,1-2H3
InChIKeyOEMORFIFLGISHO-UHFFFAOYSA-N
XLogP2.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropan-2-yl hydroxy carbonate?
The IUPAC name of 2-cyclohexylpropan-2-yl hydroxy carbonate (CID 23207841) is 2-cyclohexylpropan-2-yl hydroxy carbonate.
What is the SMILES notation for 2-cyclohexylpropan-2-yl hydroxy carbonate?
The canonical SMILES for 2-cyclohexylpropan-2-yl hydroxy carbonate is CC(C)(OC(=O)OO)C1CCCCC1.
What is the InChIKey of 2-cyclohexylpropan-2-yl hydroxy carbonate?
The InChIKey is OEMORFIFLGISHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-10(2,13-9(11)14-12)8-6-4-3-5-7-8/h8,12H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexylpropan-2-yl hydroxy carbonate?
2-cyclohexylpropan-2-yl hydroxy carbonate has a molecular weight of 202.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropan-2-yl hydroxy carbonate is sourced from PubChem (CID 23207841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).