tetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate

C22H32O8 — CID 11080386

IUPACtetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate
SMILESCOC(=O)/C1=C(\C(=O)OC)C(C(C)C)C/C(C(=O)OC)=C(/C(=O)OC)C(C(C)C)C1
InChIInChI=1S/C22H32O8/c1-11(2)13-9-15(19(23)27-5)18(22(26)30-8)14(12(3)4)10-16(20(24)28-6)17(13)21(25)29-7/h11-14H,9-10H2,1-8H3/b17-16-,18-15-
InChIKeyAAMAYVOSVXRISR-IZEYCACRSA-N
MW424.49 g/mol
LogP2.61
Rot. Bonds6

About tetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate

tetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate (PubChem CID 11080386) has the molecular formula C22H32O8 and a molecular weight of 424.49 g/mol. Its IUPAC name is tetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate
PubChem CID11080386
Molecular FormulaC22H32O8
Molecular Weight424.49 g/mol
Exact Mass424.21
IUPAC Nametetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate
SMILESCOC(=O)/C1=C(\C(=O)OC)C(C(C)C)C/C(C(=O)OC)=C(/C(=O)OC)C(C(C)C)C1
InChIInChI=1S/C22H32O8/c1-11(2)13-9-15(19(23)27-5)18(22(26)30-8)14(12(3)4)10-16(20(24)28-6)17(13)21(25)29-7/h11-14H,9-10H2,1-8H3/b17-16-,18-15-
InChIKeyAAMAYVOSVXRISR-IZEYCACRSA-N
XLogP2.61
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate with MolForge

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Related Compounds

dimethyl 3-tert-butylcyclobutene-1,2-dicarboxylate
CID 100947328
dimethyl 3-prop-1-en-2-ylcyclobutene-1,2-dicarboxylate
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methyl (5S)-2-hydroxy-5-propan-2-ylcyclohexene-1-carboxylate
CID 54694601
methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate
CID 58200009
hexamethyl pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9(14),11,15(20),17-hexaene-4,5,11,12,17,18-hexacarboxylate
CID 13068956
dimethyl 3-hexylcyclobutene-1,2-dicarboxylate
CID 11075996
trimethyl (1S,2R)-3-methylcyclopent-3-ene-1,2,4-tricarboxylate
CID 135039154
2-methoxycarbonyl-4-methylcyclohexene-1-carboxylic acid
CID 67483109
methyl 2-propan-2-ylcyclopentene-1-carboxylate
CID 90076425
dimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 101414253
dimethyl 2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 129045730
dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate
CID 54679371

Frequently Asked Questions

What is the IUPAC name of tetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate?
The IUPAC name of tetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate (CID 11080386) is tetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate.
What is the SMILES notation for tetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate?
The canonical SMILES for tetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate is COC(=O)/C1=C(\C(=O)OC)C(C(C)C)C/C(C(=O)OC)=C(/C(=O)OC)C(C(C)C)C1.
What is the InChIKey of tetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate?
The InChIKey is AAMAYVOSVXRISR-IZEYCACRSA-N. The full InChI is InChI=1S/C22H32O8/c1-11(2)13-9-15(19(23)27-5)18(22(26)30-8)14(12(3)4)10-16(20(24)28-6)17(13)21(25)29-7/h11-14H,9-10H2,1-8H3/b17-16-,18-15-.
What are the key properties of tetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate?
tetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate has a molecular weight of 424.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate is sourced from PubChem (CID 11080386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).