cyclohexyl propan-2-yl carbonate

C10H18O3 — CID 22123692

IUPACcyclohexyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OC1CCCCC1
InChIInChI=1S/C10H18O3/c1-8(2)12-10(11)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyVTDCYOLLYVAJSY-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.88
Rot. Bonds2

About cyclohexyl propan-2-yl carbonate

cyclohexyl propan-2-yl carbonate (PubChem CID 22123692) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is cyclohexyl propan-2-yl carbonate.

Molecular Properties

Compound Namecyclohexyl propan-2-yl carbonate
PubChem CID22123692
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namecyclohexyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OC1CCCCC1
InChIInChI=1S/C10H18O3/c1-8(2)12-10(11)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyVTDCYOLLYVAJSY-UHFFFAOYSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl propan-2-yl carbonate?
The IUPAC name of cyclohexyl propan-2-yl carbonate (CID 22123692) is cyclohexyl propan-2-yl carbonate.
What is the SMILES notation for cyclohexyl propan-2-yl carbonate?
The canonical SMILES for cyclohexyl propan-2-yl carbonate is CC(C)OC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl propan-2-yl carbonate?
The InChIKey is VTDCYOLLYVAJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)12-10(11)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of cyclohexyl propan-2-yl carbonate?
cyclohexyl propan-2-yl carbonate has a molecular weight of 186.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl propan-2-yl carbonate is sourced from PubChem (CID 22123692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).