dimethyl (1'S,3'R,6'R,8'S)-12',12'-dimethylspiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]-4',5'-dicarboxylate

C20H24O4 — CID 124525201

IUPACdimethyl (1'S,3'R,6'R,8'S)-12',12'-dimethylspiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]-4',5'-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@H]2C3=C([C@H]1C2(C)C)[C@H]1CC[C@H]3C12CC2
InChIInChI=1S/C20H24O4/c1-19(2)15-11-9-5-6-10(20(9)7-8-20)12(11)16(19)14(18(22)24-4)13(15)17(21)23-3/h9-10,15-16H,5-8H2,1-4H3/t9-,10-,15-,16-/m1/s1
InChIKeyCRBWCUQLRBNJRK-DJUAPZDMSA-N
MW328.41 g/mol
LogP3.03
Rot. Bonds2

About dimethyl (1'S,3'R,6'R,8'S)-12',12'-dimethylspiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]-4',5'-dicarboxylate

dimethyl (1'S,3'R,6'R,8'S)-12',12'-dimethylspiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]-4',5'-dicarboxylate (PubChem CID 124525201) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is dimethyl (1'S,3'R,6'R,8'S)-12',12'-dimethylspiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]-4',5'-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1'S,3'R,6'R,8'S)-12',12'-dimethylspiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]-4',5'-dicarboxylate
PubChem CID124525201
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Namedimethyl (1'S,3'R,6'R,8'S)-12',12'-dimethylspiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]-4',5'-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@H]2C3=C([C@H]1C2(C)C)[C@H]1CC[C@H]3C12CC2
InChIInChI=1S/C20H24O4/c1-19(2)15-11-9-5-6-10(20(9)7-8-20)12(11)16(19)14(18(22)24-4)13(15)17(21)23-3/h9-10,15-16H,5-8H2,1-4H3/t9-,10-,15-,16-/m1/s1
InChIKeyCRBWCUQLRBNJRK-DJUAPZDMSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dimethyl (1'S,3'R,6'R,8'S)-12',12'-dimethylspiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]-4',5'-dicarboxylate with MolForge

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Related Compounds

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CID 125036203
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dimethyl (1R,3S,6S,8R)-3,6-dimethyltricyclo[6.2.1.02,7]undeca-2(7),4-diene-4,5-dicarboxylate
CID 98158891
dimethyl (3aS,7aR)-7a-methyl-7-oxo-2,3,3a,6-tetrahydro-1H-indene-4,5-dicarboxylate
CID 132509422
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CID 101427795
methyl (1S,7R)-3-hydroxy-8,8-dimethylbicyclo[5.1.0]oct-3-ene-4-carboxylate
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methyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2728918
bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylic acid;dimethyl bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 160697339
methyl (4S)-4-(4-methoxycarbonylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 803208
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CID 8871472
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CID 154654018

Frequently Asked Questions

What is the IUPAC name of dimethyl (1'S,3'R,6'R,8'S)-12',12'-dimethylspiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]-4',5'-dicarboxylate?
The IUPAC name of dimethyl (1'S,3'R,6'R,8'S)-12',12'-dimethylspiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]-4',5'-dicarboxylate (CID 124525201) is dimethyl (1'S,3'R,6'R,8'S)-12',12'-dimethylspiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]-4',5'-dicarboxylate.
What is the SMILES notation for dimethyl (1'S,3'R,6'R,8'S)-12',12'-dimethylspiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]-4',5'-dicarboxylate?
The canonical SMILES for dimethyl (1'S,3'R,6'R,8'S)-12',12'-dimethylspiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]-4',5'-dicarboxylate is COC(=O)C1=C(C(=O)OC)[C@H]2C3=C([C@H]1C2(C)C)[C@H]1CC[C@H]3C12CC2.
What is the InChIKey of dimethyl (1'S,3'R,6'R,8'S)-12',12'-dimethylspiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]-4',5'-dicarboxylate?
The InChIKey is CRBWCUQLRBNJRK-DJUAPZDMSA-N. The full InChI is InChI=1S/C20H24O4/c1-19(2)15-11-9-5-6-10(20(9)7-8-20)12(11)16(19)14(18(22)24-4)13(15)17(21)23-3/h9-10,15-16H,5-8H2,1-4H3/t9-,10-,15-,16-/m1/s1.
What are the key properties of dimethyl (1'S,3'R,6'R,8'S)-12',12'-dimethylspiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]-4',5'-dicarboxylate?
dimethyl (1'S,3'R,6'R,8'S)-12',12'-dimethylspiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]-4',5'-dicarboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1'S,3'R,6'R,8'S)-12',12'-dimethylspiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]-4',5'-dicarboxylate is sourced from PubChem (CID 124525201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).