15-heptan-4-yl-7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecane

C20H37NO3 — CID 137401916

IUPAC15-heptan-4-yl-7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecane
SMILESCCCC(CCC)C1CC2(CCOCC2)N(O)C2(CCOCC2)C1
InChIInChI=1S/C20H37NO3/c1-3-5-17(6-4-2)18-15-19(7-11-23-12-8-19)21(22)20(16-18)9-13-24-14-10-20/h17-18,22H,3-16H2,1-2H3
InChIKeySVQDNUMQYAJJRI-UHFFFAOYSA-N
MW339.52 g/mol
LogP4.40
Rot. Bonds5

About 15-heptan-4-yl-7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecane

15-heptan-4-yl-7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecane (PubChem CID 137401916) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is 15-heptan-4-yl-7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecane.

Molecular Properties

Compound Name15-heptan-4-yl-7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecane
PubChem CID137401916
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Name15-heptan-4-yl-7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecane
SMILESCCCC(CCC)C1CC2(CCOCC2)N(O)C2(CCOCC2)C1
InChIInChI=1S/C20H37NO3/c1-3-5-17(6-4-2)18-15-19(7-11-23-12-8-19)21(22)20(16-18)9-13-24-14-10-20/h17-18,22H,3-16H2,1-2H3
InChIKeySVQDNUMQYAJJRI-UHFFFAOYSA-N
XLogP4.40
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hexan-3-yloxane
CID 118974929
3-heptan-4-yloxolane
CID 162375259
1,3-bis(7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-yl)-1-(1-propoxybutan-2-yl)urea
CID 130347314
6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane
CID 90697710
4-heptan-4-ylcyclopentene
CID 168807124
2-heptan-4-yl-1,3-dioxolane
CID 57255481
(2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one
CID 99841406
1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
1-butyl-4-(2-decan-4-ylspiro[3.3]heptan-6-yl)piperidine
CID 166678630
2-methyl-2-pentan-2-yl-7-oxaspiro[3.5]nonan-3-ol
CID 137412965
2-hydroxy-6-pentan-2-yl-2-azaspiro[3.4]octane
CID 156527484
1-[[4-(propylaminomethyl)oxan-4-yl]methyl]pyrrolidine-3,4-diol
CID 106674033

Frequently Asked Questions

What is the IUPAC name of 15-heptan-4-yl-7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecane?
The IUPAC name of 15-heptan-4-yl-7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecane (CID 137401916) is 15-heptan-4-yl-7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecane.
What is the SMILES notation for 15-heptan-4-yl-7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecane?
The canonical SMILES for 15-heptan-4-yl-7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecane is CCCC(CCC)C1CC2(CCOCC2)N(O)C2(CCOCC2)C1.
What is the InChIKey of 15-heptan-4-yl-7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecane?
The InChIKey is SVQDNUMQYAJJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO3/c1-3-5-17(6-4-2)18-15-19(7-11-23-12-8-19)21(22)20(16-18)9-13-24-14-10-20/h17-18,22H,3-16H2,1-2H3.
What are the key properties of 15-heptan-4-yl-7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecane?
15-heptan-4-yl-7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecane has a molecular weight of 339.52 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-heptan-4-yl-7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecane is sourced from PubChem (CID 137401916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).