cyclohexyl 1-(1-hydroxy-2,2-dimethylbut-3-enoxy)ethyl carbonate

C15H26O5 — CID 163819427

IUPACcyclohexyl 1-(1-hydroxy-2,2-dimethylbut-3-enoxy)ethyl carbonate
SMILESC=CC(C)(C)C(O)OC(C)OC(=O)OC1CCCCC1
InChIInChI=1S/C15H26O5/c1-5-15(3,4)13(16)18-11(2)19-14(17)20-12-9-7-6-8-10-12/h5,11-13,16H,1,6-10H2,2-4H3
InChIKeyNUCZFSLLQXQEGW-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.37
Rot. Bonds6

About cyclohexyl 1-(1-hydroxy-2,2-dimethylbut-3-enoxy)ethyl carbonate

cyclohexyl 1-(1-hydroxy-2,2-dimethylbut-3-enoxy)ethyl carbonate (PubChem CID 163819427) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is cyclohexyl 1-(1-hydroxy-2,2-dimethylbut-3-enoxy)ethyl carbonate.

Molecular Properties

Compound Namecyclohexyl 1-(1-hydroxy-2,2-dimethylbut-3-enoxy)ethyl carbonate
PubChem CID163819427
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Namecyclohexyl 1-(1-hydroxy-2,2-dimethylbut-3-enoxy)ethyl carbonate
SMILESC=CC(C)(C)C(O)OC(C)OC(=O)OC1CCCCC1
InChIInChI=1S/C15H26O5/c1-5-15(3,4)13(16)18-11(2)19-14(17)20-12-9-7-6-8-10-12/h5,11-13,16H,1,6-10H2,2-4H3
InChIKeyNUCZFSLLQXQEGW-UHFFFAOYSA-N
XLogP3.37
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 1-(1-hydroxy-2,2-dimethylbut-3-enoxy)ethyl carbonate?
The IUPAC name of cyclohexyl 1-(1-hydroxy-2,2-dimethylbut-3-enoxy)ethyl carbonate (CID 163819427) is cyclohexyl 1-(1-hydroxy-2,2-dimethylbut-3-enoxy)ethyl carbonate.
What is the SMILES notation for cyclohexyl 1-(1-hydroxy-2,2-dimethylbut-3-enoxy)ethyl carbonate?
The canonical SMILES for cyclohexyl 1-(1-hydroxy-2,2-dimethylbut-3-enoxy)ethyl carbonate is C=CC(C)(C)C(O)OC(C)OC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 1-(1-hydroxy-2,2-dimethylbut-3-enoxy)ethyl carbonate?
The InChIKey is NUCZFSLLQXQEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-5-15(3,4)13(16)18-11(2)19-14(17)20-12-9-7-6-8-10-12/h5,11-13,16H,1,6-10H2,2-4H3.
What are the key properties of cyclohexyl 1-(1-hydroxy-2,2-dimethylbut-3-enoxy)ethyl carbonate?
cyclohexyl 1-(1-hydroxy-2,2-dimethylbut-3-enoxy)ethyl carbonate has a molecular weight of 286.37 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 1-(1-hydroxy-2,2-dimethylbut-3-enoxy)ethyl carbonate is sourced from PubChem (CID 163819427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).