cyclohexane;hydroxy propan-2-yl carbonate

C10H20O4 — CID 174791698

IUPACcyclohexane;hydroxy propan-2-yl carbonate
SMILESC1CCCCC1.CC(C)OC(=O)OO
InChIInChI=1S/C6H12.C4H8O4/c1-2-4-6-5-3-1;1-3(2)7-4(5)8-6/h1-6H2;3,6H,1-2H3
InChIKeyLXZKGAOLLXGCQI-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.36
Rot. Bonds1

About cyclohexane;hydroxy propan-2-yl carbonate

cyclohexane;hydroxy propan-2-yl carbonate (PubChem CID 174791698) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is cyclohexane;hydroxy propan-2-yl carbonate.

Molecular Properties

Compound Namecyclohexane;hydroxy propan-2-yl carbonate
PubChem CID174791698
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Namecyclohexane;hydroxy propan-2-yl carbonate
SMILESC1CCCCC1.CC(C)OC(=O)OO
InChIInChI=1S/C6H12.C4H8O4/c1-2-4-6-5-3-1;1-3(2)7-4(5)8-6/h1-6H2;3,6H,1-2H3
InChIKeyLXZKGAOLLXGCQI-UHFFFAOYSA-N
XLogP3.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.36
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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Related Compounds

carbonoperoxoyloxy propan-2-yl carbonate
CID 146240336
(1-aminocycloheptyl)methyl propan-2-yl carbonate
CID 79337960
3-methylbutan-2-yl propan-2-yl carbonate
CID 23388328
[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate
CID 118177700
propan-2-yl 2-piperidin-1-ylacetate
CID 44791468
propan-2-yl N-cyclooctylcarbamate
CID 116653938
hydroxy methyl carbonate
CID 158464551
cyclopropane;3-oxo-3-propan-2-yloxypropanoic acid
CID 175553635
1-(methylamino)propan-2-yl propan-2-yl carbonate
CID 79337104
propan-2-yl (propan-2-ylamino)methyl carbonate
CID 59502371
tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate
CID 23066882
(1-hydroxycyclopropyl)methyl propan-2-yl carbonate
CID 141497433

Frequently Asked Questions

What is the IUPAC name of cyclohexane;hydroxy propan-2-yl carbonate?
The IUPAC name of cyclohexane;hydroxy propan-2-yl carbonate (CID 174791698) is cyclohexane;hydroxy propan-2-yl carbonate.
What is the SMILES notation for cyclohexane;hydroxy propan-2-yl carbonate?
The canonical SMILES for cyclohexane;hydroxy propan-2-yl carbonate is C1CCCCC1.CC(C)OC(=O)OO.
What is the InChIKey of cyclohexane;hydroxy propan-2-yl carbonate?
The InChIKey is LXZKGAOLLXGCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H8O4/c1-2-4-6-5-3-1;1-3(2)7-4(5)8-6/h1-6H2;3,6H,1-2H3.
What are the key properties of cyclohexane;hydroxy propan-2-yl carbonate?
cyclohexane;hydroxy propan-2-yl carbonate has a molecular weight of 204.27 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;hydroxy propan-2-yl carbonate is sourced from PubChem (CID 174791698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).