(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate

C16H29NO4 — CID 57204573

IUPAC(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate
SMILESCCCC(=O)OCC1COC2(CC(C)(C)NC(C)(C)C2)O1
InChIInChI=1S/C16H29NO4/c1-6-7-13(18)19-8-12-9-20-16(21-12)10-14(2,3)17-15(4,5)11-16/h12,17H,6-11H2,1-5H3
InChIKeyKVDYINOPDILADX-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.38
Rot. Bonds4

About (7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate

(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate (PubChem CID 57204573) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is (7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate.

Molecular Properties

Compound Name(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate
PubChem CID57204573
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate
SMILESCCCC(=O)OCC1COC2(CC(C)(C)NC(C)(C)C2)O1
InChIInChI=1S/C16H29NO4/c1-6-7-13(18)19-8-12-9-20-16(21-12)10-14(2,3)17-15(4,5)11-16/h12,17H,6-11H2,1-5H3
InChIKeyKVDYINOPDILADX-UHFFFAOYSA-N
XLogP2.38
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl octanoate
CID 11230661
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl heptacosanoate
CID 71770385
bis[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl] butanedioate
CID 139293602
bis[(7,7,8,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl] carbonate
CID 54042397
5,8-dioxaspiro[3.4]octan-7-ylmethyl acetate
CID 54401844
[(2R)-4-oxooxetan-2-yl]methyl butanoate
CID 131862213
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate
CID 132839018
oxetan-2-ylmethyl butanoate
CID 150335397
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate
CID 95162554
[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate
CID 118169205
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 8-bromooctanoate
CID 10688302
bis[[7,7,9,9-tetramethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl] octanedioate
CID 58982360

Frequently Asked Questions

What is the IUPAC name of (7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate?
The IUPAC name of (7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate (CID 57204573) is (7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate.
What is the SMILES notation for (7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate?
The canonical SMILES for (7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate is CCCC(=O)OCC1COC2(CC(C)(C)NC(C)(C)C2)O1.
What is the InChIKey of (7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate?
The InChIKey is KVDYINOPDILADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-6-7-13(18)19-8-12-9-20-16(21-12)10-14(2,3)17-15(4,5)11-16/h12,17H,6-11H2,1-5H3.
What are the key properties of (7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate?
(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate has a molecular weight of 299.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate is sourced from PubChem (CID 57204573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).