6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanamide

C15H27NO5 — CID 87764067

IUPAC6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanamide
SMILESNC(=O)CCCCCC1COOC2(CCCCC2)OOC1
InChIInChI=1S/C15H27NO5/c16-14(17)8-4-1-3-7-13-11-18-20-15(21-19-12-13)9-5-2-6-10-15/h13H,1-12H2,(H2,16,17)
InChIKeyHCCYIDPJMNNCNM-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.61
Rot. Bonds6

About 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanamide

6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanamide (PubChem CID 87764067) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanamide.

Molecular Properties

Compound Name6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanamide
PubChem CID87764067
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanamide
SMILESNC(=O)CCCCCC1COOC2(CCCCC2)OOC1
InChIInChI=1S/C15H27NO5/c16-14(17)8-4-1-3-7-13-11-18-20-15(21-19-12-13)9-5-2-6-10-15/h13H,1-12H2,(H2,16,17)
InChIKeyHCCYIDPJMNNCNM-UHFFFAOYSA-N
XLogP2.61
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanoic acid
CID 87766103
1,2,6,7-tetraoxaspiro[7.11]nonadecane;6-(1,2,6,7-tetraoxaspiro[7.11]nonadecan-4-yl)hexan-1-ol
CID 157102186
11-(oxetan-3-yl)undecanamide
CID 175975608
7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide
CID 87395608
18-cyclohexyloctadecanamide
CID 70490920
cyclohexane;hexanediamide
CID 22340258
methyl 7-(dioxolan-4-yl)heptanoate
CID 88634184
1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide
CID 66641260
6-(1-methylcyclohexyl)hexanamide
CID 154219195
1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide
CID 23208382
docosanediamide;hexacosanediamide
CID 129179979
nonatetracontanediamide
CID 162734608

Frequently Asked Questions

What is the IUPAC name of 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanamide?
The IUPAC name of 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanamide (CID 87764067) is 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanamide.
What is the SMILES notation for 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanamide?
The canonical SMILES for 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanamide is NC(=O)CCCCCC1COOC2(CCCCC2)OOC1.
What is the InChIKey of 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanamide?
The InChIKey is HCCYIDPJMNNCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c16-14(17)8-4-1-3-7-13-11-18-20-15(21-19-12-13)9-5-2-6-10-15/h13H,1-12H2,(H2,16,17).
What are the key properties of 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanamide?
6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanamide has a molecular weight of 301.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanamide is sourced from PubChem (CID 87764067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).