methyl (4R)-8-hydroxy-4-methylspiro[2.5]octa-5,7-diene-7-carboxylate

C11H14O3 — CID 54718104

IUPACmethyl (4R)-8-hydroxy-4-methylspiro[2.5]octa-5,7-diene-7-carboxylate
SMILESCOC(=O)C1=C(O)C2(CC2)[C@H](C)C=C1
InChIInChI=1S/C11H14O3/c1-7-3-4-8(10(13)14-2)9(12)11(7)5-6-11/h3-4,7,12H,5-6H2,1-2H3/t7-/m1/s1
InChIKeySZVAZTMMNBUWLD-SSDOTTSWSA-N
MW194.23 g/mol
LogP1.96
Rot. Bonds1

About methyl (4R)-8-hydroxy-4-methylspiro[2.5]octa-5,7-diene-7-carboxylate

methyl (4R)-8-hydroxy-4-methylspiro[2.5]octa-5,7-diene-7-carboxylate (PubChem CID 54718104) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl (4R)-8-hydroxy-4-methylspiro[2.5]octa-5,7-diene-7-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-8-hydroxy-4-methylspiro[2.5]octa-5,7-diene-7-carboxylate
PubChem CID54718104
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl (4R)-8-hydroxy-4-methylspiro[2.5]octa-5,7-diene-7-carboxylate
SMILESCOC(=O)C1=C(O)C2(CC2)[C@H](C)C=C1
InChIInChI=1S/C11H14O3/c1-7-3-4-8(10(13)14-2)9(12)11(7)5-6-11/h3-4,7,12H,5-6H2,1-2H3/t7-/m1/s1
InChIKeySZVAZTMMNBUWLD-SSDOTTSWSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 139245275
CID 139245275
2-methoxycarbonyl-7-methylcyclohepta-1,3,5-triene-1-carboxylic acid
CID 91197668
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CID 170707878
methyl 4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate
CID 3359332
methyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate
CID 68723174
ethene;methyl 6-[3-(1-adamantyl)-4-hydroxyphenyl]naphthalene-2-carboxylate
CID 143380631
methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
dimethyl (1S,4R,7S,8S)-7,8-diacetyloxybicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylate
CID 11823946
dimethyl 3,6-dimethoxycyclohexa-1,4-diene-1,2-dicarboxylate
CID 15577366
dodecamethyl (1R,2R,3S,4S,5S,6S,9R,10R,11R,12R,13S,14S,15S,16S,17S,22S,23R,24R)-decacyclo[12.10.0.02,13.03,12.04,11.05,10.06,9.015,24.016,23.017,22]tetracosa-7,18,20-triene-1,3,5,7,8,10,12,14,16,18,19,23-dodecacarboxylate
CID 10328650
methyl 3-(1-hydroxycyclopropyl)benzoate
CID 130756683
dimethyl tetracyclo[4.2.2.22,5.01,6]dodeca-3,7,9,11-tetraene-3,4-dicarboxylate
CID 596148

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-8-hydroxy-4-methylspiro[2.5]octa-5,7-diene-7-carboxylate?
The IUPAC name of methyl (4R)-8-hydroxy-4-methylspiro[2.5]octa-5,7-diene-7-carboxylate (CID 54718104) is methyl (4R)-8-hydroxy-4-methylspiro[2.5]octa-5,7-diene-7-carboxylate.
What is the SMILES notation for methyl (4R)-8-hydroxy-4-methylspiro[2.5]octa-5,7-diene-7-carboxylate?
The canonical SMILES for methyl (4R)-8-hydroxy-4-methylspiro[2.5]octa-5,7-diene-7-carboxylate is COC(=O)C1=C(O)C2(CC2)[C@H](C)C=C1.
What is the InChIKey of methyl (4R)-8-hydroxy-4-methylspiro[2.5]octa-5,7-diene-7-carboxylate?
The InChIKey is SZVAZTMMNBUWLD-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-3-4-8(10(13)14-2)9(12)11(7)5-6-11/h3-4,7,12H,5-6H2,1-2H3/t7-/m1/s1.
What are the key properties of methyl (4R)-8-hydroxy-4-methylspiro[2.5]octa-5,7-diene-7-carboxylate?
methyl (4R)-8-hydroxy-4-methylspiro[2.5]octa-5,7-diene-7-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-8-hydroxy-4-methylspiro[2.5]octa-5,7-diene-7-carboxylate is sourced from PubChem (CID 54718104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).