(7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol

C14H27NO4 — CID 68841232

IUPAC(7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
SMILESCCC1(CC)CC2(CC(C)(C)N1O)OCC(CO)O2
InChIInChI=1S/C14H27NO4/c1-5-13(6-2)10-14(9-12(3,4)15(13)17)18-8-11(7-16)19-14/h11,16-17H,5-10H2,1-4H3
InChIKeyVYDZGVPKVRIILS-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.91
Rot. Bonds3

About (7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol

(7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol (PubChem CID 68841232) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is (7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol.

Molecular Properties

Compound Name(7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
PubChem CID68841232
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name(7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
SMILESCCC1(CC)CC2(CC(C)(C)N1O)OCC(CO)O2
InChIInChI=1S/C14H27NO4/c1-5-13(6-2)10-14(9-12(3,4)15(13)17)18-8-11(7-16)19-14/h11,16-17H,5-10H2,1-4H3
InChIKeyVYDZGVPKVRIILS-UHFFFAOYSA-N
XLogP1.91
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol?
The IUPAC name of (7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol (CID 68841232) is (7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol.
What is the SMILES notation for (7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol?
The canonical SMILES for (7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol is CCC1(CC)CC2(CC(C)(C)N1O)OCC(CO)O2.
What is the InChIKey of (7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol?
The InChIKey is VYDZGVPKVRIILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-5-13(6-2)10-14(9-12(3,4)15(13)17)18-8-11(7-16)19-14/h11,16-17H,5-10H2,1-4H3.
What are the key properties of (7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol?
(7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol has a molecular weight of 273.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol is sourced from PubChem (CID 68841232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).