cyclohexylmethyl propyl carbonate

C11H20O3 — CID 54355814

IUPACcyclohexylmethyl propyl carbonate
SMILESCCCOC(=O)OCC1CCCCC1
InChIInChI=1S/C11H20O3/c1-2-8-13-11(12)14-9-10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyQJRNAVLRTASNNZ-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.13
Rot. Bonds4

About cyclohexylmethyl propyl carbonate

cyclohexylmethyl propyl carbonate (PubChem CID 54355814) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is cyclohexylmethyl propyl carbonate.

Molecular Properties

Compound Namecyclohexylmethyl propyl carbonate
PubChem CID54355814
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namecyclohexylmethyl propyl carbonate
SMILESCCCOC(=O)OCC1CCCCC1
InChIInChI=1S/C11H20O3/c1-2-8-13-11(12)14-9-10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyQJRNAVLRTASNNZ-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl propyl carbonate?
The IUPAC name of cyclohexylmethyl propyl carbonate (CID 54355814) is cyclohexylmethyl propyl carbonate.
What is the SMILES notation for cyclohexylmethyl propyl carbonate?
The canonical SMILES for cyclohexylmethyl propyl carbonate is CCCOC(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl propyl carbonate?
The InChIKey is QJRNAVLRTASNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-8-13-11(12)14-9-10-6-4-3-5-7-10/h10H,2-9H2,1H3.
What are the key properties of cyclohexylmethyl propyl carbonate?
cyclohexylmethyl propyl carbonate has a molecular weight of 200.28 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl propyl carbonate is sourced from PubChem (CID 54355814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).