ethyl 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane-1-carboxylate

C15H24O5 — CID 100952467

IUPACethyl 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane-1-carboxylate
SMILESCCOC(=O)C1(C(C)C)OC12CCC1(CC2)OCCO1
InChIInChI=1S/C15H24O5/c1-4-17-12(16)15(11(2)3)13(20-15)5-7-14(8-6-13)18-9-10-19-14/h11H,4-10H2,1-3H3
InChIKeyRDWKVCDTPXVMQX-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.03
Rot. Bonds3

About ethyl 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane-1-carboxylate

ethyl 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane-1-carboxylate (PubChem CID 100952467) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is ethyl 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane-1-carboxylate
PubChem CID100952467
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Nameethyl 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane-1-carboxylate
SMILESCCOC(=O)C1(C(C)C)OC12CCC1(CC2)OCCO1
InChIInChI=1S/C15H24O5/c1-4-17-12(16)15(11(2)3)13(20-15)5-7-14(8-6-13)18-9-10-19-14/h11H,4-10H2,1-3H3
InChIKeyRDWKVCDTPXVMQX-UHFFFAOYSA-N
XLogP2.03
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane-1-carboxylate?
The IUPAC name of ethyl 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane-1-carboxylate (CID 100952467) is ethyl 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane-1-carboxylate.
What is the SMILES notation for ethyl 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane-1-carboxylate?
The canonical SMILES for ethyl 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane-1-carboxylate is CCOC(=O)C1(C(C)C)OC12CCC1(CC2)OCCO1.
What is the InChIKey of ethyl 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane-1-carboxylate?
The InChIKey is RDWKVCDTPXVMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-4-17-12(16)15(11(2)3)13(20-15)5-7-14(8-6-13)18-9-10-19-14/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane-1-carboxylate?
ethyl 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane-1-carboxylate has a molecular weight of 284.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane-1-carboxylate is sourced from PubChem (CID 100952467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).