methanol;1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadec-9-ene

C12H21NO4 — CID 144915290

IUPACmethanol;1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadec-9-ene
SMILESC1=COC2(CCCC3(C2)OCCO3)CN1.CO
InChIInChI=1S/C11H17NO3.CH4O/c1-2-10(9-12-4-5-13-10)8-11(3-1)14-6-7-15-11;1-2/h4-5,12H,1-3,6-9H2;2H,1H3
InChIKeyBFIGRKXGQPYCET-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.74
Rot. Bonds

About methanol;1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadec-9-ene

methanol;1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadec-9-ene (PubChem CID 144915290) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methanol;1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadec-9-ene.

Molecular Properties

Compound Namemethanol;1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadec-9-ene
PubChem CID144915290
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethanol;1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadec-9-ene
SMILESC1=COC2(CCCC3(C2)OCCO3)CN1.CO
InChIInChI=1S/C11H17NO3.CH4O/c1-2-10(9-12-4-5-13-10)8-11(3-1)14-6-7-15-11;1-2/h4-5,12H,1-3,6-9H2;2H,1H3
InChIKeyBFIGRKXGQPYCET-UHFFFAOYSA-N
XLogP0.74
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol
CID 139384919
1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol
CID 121222293
(7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane
CID 129379894
1,7-dioxaspiro[5.5]undec-2-en-4-ol
CID 14263737
bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid
CID 127263574
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile
CID 10654993
(5S)-1,10-dioxaspiro[4.5]dec-2-ene
CID 44551304
9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane]
CID 58051253
methanol;4-oxaspiro[2.4]heptane
CID 144744375
[(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine
CID 129395694

Frequently Asked Questions

What is the IUPAC name of methanol;1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadec-9-ene?
The IUPAC name of methanol;1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadec-9-ene (CID 144915290) is methanol;1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadec-9-ene.
What is the SMILES notation for methanol;1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadec-9-ene?
The canonical SMILES for methanol;1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadec-9-ene is C1=COC2(CCCC3(C2)OCCO3)CN1.CO.
What is the InChIKey of methanol;1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadec-9-ene?
The InChIKey is BFIGRKXGQPYCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3.CH4O/c1-2-10(9-12-4-5-13-10)8-11(3-1)14-6-7-15-11;1-2/h4-5,12H,1-3,6-9H2;2H,1H3.
What are the key properties of methanol;1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadec-9-ene?
methanol;1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadec-9-ene has a molecular weight of 243.30 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadec-9-ene is sourced from PubChem (CID 144915290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).