Dispiro[cyclohexane-1,4'-[3,5,7,10,12]pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-11',1''-cyclohexane]-8'-carboxylic acid

C18H26O7 — CID 2882326

IUPAC—
SMILESO=C(O)C1OC2OC3(CCCCC3)OC2C2OC3(CCCCC3)OC12
InChIInChI=1S/C18H26O7/c19-15(20)13-11-12(23-17(22-11)7-3-1-4-8-17)14-16(21-13)25-18(24-14)9-5-2-6-10-18/h11-14,16H,1-10H2,(H,19,20)
InChIKeyDKIDUEFGXKKXNI-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.32
Rot. Bonds1

About Dispiro[cyclohexane-1,4'-[3,5,7,10,12]pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-11',1''-cyclohexane]-8'-carboxylic acid

Dispiro[cyclohexane-1,4'-[3,5,7,10,12]pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-11',1''-cyclohexane]-8'-carboxylic acid (PubChem CID 2882326) has the molecular formula C18H26O7 and a molecular weight of 354.40 g/mol.

Molecular Properties

Compound NameDispiro[cyclohexane-1,4'-[3,5,7,10,12]pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-11',1''-cyclohexane]-8'-carboxylic acid
PubChem CID2882326
Molecular FormulaC18H26O7
Molecular Weight354.40 g/mol
Exact Mass354.17
IUPAC Name—
SMILESO=C(O)C1OC2OC3(CCCCC3)OC2C2OC3(CCCCC3)OC12
InChIInChI=1S/C18H26O7/c19-15(20)13-11-12(23-17(22-11)7-3-1-4-8-17)14-16(21-13)25-18(24-14)9-5-2-6-10-18/h11-14,16H,1-10H2,(H,19,20)
InChIKeyDKIDUEFGXKKXNI-UHFFFAOYSA-N
XLogP2.32
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze Dispiro[cyclohexane-1,4'-[3,5,7,10,12]pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-11',1''-cyclohexane]-8'-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of Dispiro[cyclohexane-1,4'-[3,5,7,10,12]pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-11',1''-cyclohexane]-8'-carboxylic acid?
The IUPAC name of Dispiro[cyclohexane-1,4'-[3,5,7,10,12]pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-11',1''-cyclohexane]-8'-carboxylic acid (CID 2882326) is not available.
What is the SMILES notation for Dispiro[cyclohexane-1,4'-[3,5,7,10,12]pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-11',1''-cyclohexane]-8'-carboxylic acid?
The canonical SMILES for Dispiro[cyclohexane-1,4'-[3,5,7,10,12]pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-11',1''-cyclohexane]-8'-carboxylic acid is O=C(O)C1OC2OC3(CCCCC3)OC2C2OC3(CCCCC3)OC12.
What is the InChIKey of Dispiro[cyclohexane-1,4'-[3,5,7,10,12]pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-11',1''-cyclohexane]-8'-carboxylic acid?
The InChIKey is DKIDUEFGXKKXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O7/c19-15(20)13-11-12(23-17(22-11)7-3-1-4-8-17)14-16(21-13)25-18(24-14)9-5-2-6-10-18/h11-14,16H,1-10H2,(H,19,20).
What are the key properties of Dispiro[cyclohexane-1,4'-[3,5,7,10,12]pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-11',1''-cyclohexane]-8'-carboxylic acid?
Dispiro[cyclohexane-1,4'-[3,5,7,10,12]pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-11',1''-cyclohexane]-8'-carboxylic acid has a molecular weight of 354.40 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Dispiro[cyclohexane-1,4'-[3,5,7,10,12]pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-11',1''-cyclohexane]-8'-carboxylic acid is sourced from PubChem (CID 2882326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).