dipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate

C24H26O4 — CID 1101086

IUPACdipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
SMILESCC(C)OC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)OC(C)C
InChIInChI=1S/C24H26O4/c1-13(2)27-23(25)21-19-15-9-5-7-11-17(15)20(18-12-8-6-10-16(18)19)22(21)24(26)28-14(3)4/h5-14,19-22H,1-4H3/t19?,20?,21-,22-/m1/s1
InChIKeyZKNJBXCQPISYDC-LIKPIUCQSA-N
MW378.47 g/mol
LogP4.41
Rot. Bonds4

About dipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate

dipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate (PubChem CID 1101086) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is dipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
PubChem CID1101086
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Namedipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
SMILESCC(C)OC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)OC(C)C
InChIInChI=1S/C24H26O4/c1-13(2)27-23(25)21-19-15-9-5-7-11-17(15)20(18-12-8-6-10-16(18)19)22(21)24(26)28-14(3)4/h5-14,19-22H,1-4H3/t19?,20?,21-,22-/m1/s1
InChIKeyZKNJBXCQPISYDC-LIKPIUCQSA-N
XLogP4.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate with MolForge

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Related Compounds

dipropan-2-yl (15S,16S)-4-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-dicarboxylate
CID 101463484
dipropan-2-yl (15S,16S)-4,11-diaminotetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15,16-dicarboxylate
CID 101463486
bis(2-methylpropyl) (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
CID 1098666
(15S,16S)-16-(3-methylbutoxycarbonyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 163163146
cis-(2S,4R)-2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylate
CID 6923547
dipropan-2-yl pentacyclo[9.6.0.01,4.05,10.012,17]heptadeca-5,7,9,12,14,16-hexaene-2,3-dicarboxylate
CID 4667169
dipropan-2-yl (1R,2S,3R,4S,11R)-pentacyclo[9.6.0.01,4.05,10.012,17]heptadeca-5,7,9,12,14,16-hexaene-2,3-dicarboxylate
CID 11862061
dibutyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
CID 3106700
dipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate
CID 141457088
16-propoxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 2828002
3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid
CID 175588676
phenyl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CID 176879243

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate?
The IUPAC name of dipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate (CID 1101086) is dipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate.
What is the SMILES notation for dipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate?
The canonical SMILES for dipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate is CC(C)OC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate?
The InChIKey is ZKNJBXCQPISYDC-LIKPIUCQSA-N. The full InChI is InChI=1S/C24H26O4/c1-13(2)27-23(25)21-19-15-9-5-7-11-17(15)20(18-12-8-6-10-16(18)19)22(21)24(26)28-14(3)4/h5-14,19-22H,1-4H3/t19?,20?,21-,22-/m1/s1.
What are the key properties of dipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate?
dipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate has a molecular weight of 378.47 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate is sourced from PubChem (CID 1101086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).