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

C15H26O6 — CID 87766103

IUPAC6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanoic acid
SMILESO=C(O)CCCCCC1COOC2(CCCCC2)OOC1
InChIInChI=1S/C15H26O6/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,(H,16,17)
InChIKeyUFBNBKWSZPNCCB-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.21
Rot. Bonds6

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

6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanoic acid (PubChem CID 87766103) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanoic acid.

Molecular Properties

Compound Name6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanoic acid
PubChem CID87766103
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Name6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanoic acid
SMILESO=C(O)CCCCCC1COOC2(CCCCC2)OOC1
InChIInChI=1S/C15H26O6/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,(H,16,17)
InChIKeyUFBNBKWSZPNCCB-UHFFFAOYSA-N
XLogP3.21
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.21
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)hexanamide
CID 87764067
1,2,6,7-tetraoxaspiro[7.11]nonadecane;6-(1,2,6,7-tetraoxaspiro[7.11]nonadecan-4-yl)hexan-1-ol
CID 157102186
7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
12-[(8E)-cyclohexadec-8-en-1-yl]dodecanoic acid
CID 67740189
8-cyclobutyloctanoic acid
CID 72551210
8-cyclopent-3-en-1-yloctanoic acid
CID 177256407
7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide
CID 87395608
14-[1-(13-carboxytridecyl)cyclohexyl]tetradecanoic acid
CID 54174262
5-(oxolan-3-yl)pentanoic acid
CID 142409072

Frequently Asked Questions

What is the IUPAC name of 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanoic acid?
The IUPAC name of 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanoic acid (CID 87766103) is 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanoic acid.
What is the SMILES notation for 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanoic acid?
The canonical SMILES for 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanoic acid is O=C(O)CCCCCC1COOC2(CCCCC2)OOC1.
What is the InChIKey of 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanoic acid?
The InChIKey is UFBNBKWSZPNCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6/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,(H,16,17).
What are the key properties of 6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanoic acid?
6-(7,8,12,13-tetraoxaspiro[5.7]tridecan-10-yl)hexanoic acid has a molecular weight of 302.37 g/mol, XLogP of 3.21, 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)hexanoic acid is sourced from PubChem (CID 87766103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).