16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol

C19H32NO4+ — CID 163173981

IUPAC16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol
SMILESCOC1CC2C(CC[NH+]3CC4CC5OCOC5CC4CC23)CC1O
InChIInChI=1S/C19H31NO4/c1-22-17-8-14-11(5-16(17)21)2-3-20-9-13-7-19-18(23-10-24-19)6-12(13)4-15(14)20/h11-19,21H,2-10H2,1H3/p+1
InChIKeyRHZATKKIULSXDY-UHFFFAOYSA-O
MW338.47 g/mol
LogP0.22
Rot. Bonds1

About 16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol

16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol (PubChem CID 163173981) has the molecular formula C19H32NO4+ and a molecular weight of 338.47 g/mol. Its IUPAC name is 16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol.

Molecular Properties

Compound Name16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol
PubChem CID163173981
Molecular FormulaC19H32NO4+
Molecular Weight338.47 g/mol
Exact Mass338.23
IUPAC Name16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol
SMILESCOC1CC2C(CC[NH+]3CC4CC5OCOC5CC4CC23)CC1O
InChIInChI=1S/C19H31NO4/c1-22-17-8-14-11(5-16(17)21)2-3-20-9-13-7-19-18(23-10-24-19)6-12(13)4-15(14)20/h11-19,21H,2-10H2,1H3/p+1
InChIKeyRHZATKKIULSXDY-UHFFFAOYSA-O
XLogP0.22
TPSA52.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol with MolForge

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Related Compounds

2,9,10-trimethoxy-1,2,3,4,4a,5,6,7,8,8a,9,10,11,12,12a,13,13a,13b-octadecahydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
CID 163119712
1-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 163174051
16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol
CID 163118242
(11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol
CID 163118246
15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane
CID 163172353
2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol
CID 23118753
2,3,9,10-tetramethoxy-13-methyl-1,2,3,4,4a,5,6,7,8,8a,9,10,11,12,12a,13,13a,13b-octadecahydroisoquinolino[3,2-a]isoquinolin-7-ium
CID 163129174
4-[(6-methyl-4,4a,5,7,8,8a,9,9a-octahydro-3aH-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]cyclohexan-1-ol
CID 162809814
(2S,4S,5S)-5-methoxyoxane-2,4-diol
CID 10057644
4-methoxyoxane-2,5-diol
CID 77322650
6-amino-4-(2-methoxycyclohexyl)-13,15-dioxa-7-azatetracyclo[8.7.0.02,7.012,16]heptadecane-5-carbonitrile
CID 163170456
3,16,17-trimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosane
CID 163127425

Frequently Asked Questions

What is the IUPAC name of 16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol?
The IUPAC name of 16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol (CID 163173981) is 16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol.
What is the SMILES notation for 16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol?
The canonical SMILES for 16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol is COC1CC2C(CC[NH+]3CC4CC5OCOC5CC4CC23)CC1O.
What is the InChIKey of 16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol?
The InChIKey is RHZATKKIULSXDY-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H31NO4/c1-22-17-8-14-11(5-16(17)21)2-3-20-9-13-7-19-18(23-10-24-19)6-12(13)4-15(14)20/h11-19,21H,2-10H2,1H3/p+1.
What are the key properties of 16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol?
16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol has a molecular weight of 338.47 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol is sourced from PubChem (CID 163173981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).