methyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate

C18H33NO5 — CID 142801570

IUPACmethyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate
SMILESCOC(=O)C1(C)COC2(CC(C)(C)N(OC(C)C)C(C)(C)C2)OC1
InChIInChI=1S/C18H33NO5/c1-13(2)24-19-15(3,4)9-18(10-16(19,5)6)22-11-17(7,12-23-18)14(20)21-8/h13H,9-12H2,1-8H3
InChIKeyRLTGJNACOXKECO-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.90
Rot. Bonds3

About methyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate

methyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate (PubChem CID 142801570) has the molecular formula C18H33NO5 and a molecular weight of 343.46 g/mol. Its IUPAC name is methyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate
PubChem CID142801570
Molecular FormulaC18H33NO5
Molecular Weight343.46 g/mol
Exact Mass343.24
IUPAC Namemethyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate
SMILESCOC(=O)C1(C)COC2(CC(C)(C)N(OC(C)C)C(C)(C)C2)OC1
InChIInChI=1S/C18H33NO5/c1-13(2)24-19-15(3,4)9-18(10-16(19,5)6)22-11-17(7,12-23-18)14(20)21-8/h13H,9-12H2,1-8H3
InChIKeyRLTGJNACOXKECO-UHFFFAOYSA-N
XLogP2.90
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of methyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate (CID 142801570) is methyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for methyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for methyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate is COC(=O)C1(C)COC2(CC(C)(C)N(OC(C)C)C(C)(C)C2)OC1.
What is the InChIKey of methyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate?
The InChIKey is RLTGJNACOXKECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO5/c1-13(2)24-19-15(3,4)9-18(10-16(19,5)6)22-11-17(7,12-23-18)14(20)21-8/h13H,9-12H2,1-8H3.
What are the key properties of methyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate?
methyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate has a molecular weight of 343.46 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 142801570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).