spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid

C16H18O5 — CID 10266217

IUPACspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid
SMILESO=C(O)C1CCCCC12OCCc1cc3c(cc12)OCO3
InChIInChI=1S/C16H18O5/c17-15(18)11-3-1-2-5-16(11)12-8-14-13(19-9-20-14)7-10(12)4-6-21-16/h7-8,11H,1-6,9H2,(H,17,18)
InChIKeyZVKGGQQHRZKUOV-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.46
Rot. Bonds1

About spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid

spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid (PubChem CID 10266217) has the molecular formula C16H18O5 and a molecular weight of 290.31 g/mol. Its IUPAC name is spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid.

Molecular Properties

Compound Namespiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid
PubChem CID10266217
Molecular FormulaC16H18O5
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Namespiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid
SMILESO=C(O)C1CCCCC12OCCc1cc3c(cc12)OCO3
InChIInChI=1S/C16H18O5/c17-15(18)11-3-1-2-5-16(11)12-8-14-13(19-9-20-14)7-10(12)4-6-21-16/h7-8,11H,1-6,9H2,(H,17,18)
InChIKeyZVKGGQQHRZKUOV-UHFFFAOYSA-N
XLogP2.46
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-hydroxy-1,3-benzodioxol-5-yl)cyclohexane-1-carboxylic acid
CID 117414750
(1S,16S)-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9-trien-14-one
CID 10957069
phenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone
CID 102024747
1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone
CID 12650935
cis-(1R,2S)-2-hydroxy-2-phenylcyclohexane-1-carboxylic acid
CID 14915548
phenyl (1Z)-N-[2-(5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isochromen-5-yl)acetyl]methanehydrazonate
CID 102122094
5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,14-tetraene-13,16,17-triol
CID 162892479
1-(6-chloro-1,3-benzodioxol-5-yl)cyclobutane-1-carboxylic acid
CID 117389694
1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)cyclohexane-1-carboxylic acid
CID 117445875
spiro[5.6]dodecane-12-carboxylic acid
CID 59513338
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1-carboxylic acid
CID 117442442
12b-(2-oxopropyl)-3,4,6,7-tetrahydro-2H-[1,3]benzodioxolo[6,5-a]quinolizin-1-one
CID 11278019

Frequently Asked Questions

What is the IUPAC name of spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid?
The IUPAC name of spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid (CID 10266217) is spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid.
What is the SMILES notation for spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid?
The canonical SMILES for spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid is O=C(O)C1CCCCC12OCCc1cc3c(cc12)OCO3.
What is the InChIKey of spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid?
The InChIKey is ZVKGGQQHRZKUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c17-15(18)11-3-1-2-5-16(11)12-8-14-13(19-9-20-14)7-10(12)4-6-21-16/h7-8,11H,1-6,9H2,(H,17,18).
What are the key properties of spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid?
spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid has a molecular weight of 290.31 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid is sourced from PubChem (CID 10266217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).