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

C24H26O4 — CID 14173409

IUPACdipropan-2-yl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate
SMILESCC(C)OC(=O)C1(C(=O)OC(C)C)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C24H26O4/c1-14(2)27-22(25)24(23(26)28-15(3)4)13-20-16-9-5-7-11-18(16)21(24)19-12-8-6-10-17(19)20/h5-12,14-15,20-21H,13H2,1-4H3
InChIKeyVVNSORKXPWDJRJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.56
Rot. Bonds4

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

dipropan-2-yl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate (PubChem CID 14173409) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is dipropan-2-yl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate
PubChem CID14173409
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Namedipropan-2-yl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate
SMILESCC(C)OC(=O)C1(C(=O)OC(C)C)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C24H26O4/c1-14(2)27-22(25)24(23(26)28-15(3)4)13-20-16-9-5-7-11-18(16)21(24)19-12-8-6-10-17(19)20/h5-12,14-15,20-21H,13H2,1-4H3
InChIKeyVVNSORKXPWDJRJ-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 15-(2,2,2-trifluoroacetyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CID 15530344
dipropan-2-yl 3-formyl-2,3,4,4a,9,9a-hexahydrocarbazole-1,1-dicarboxylate
CID 20978727
(15S)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl chloride
CID 102060619
15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 102209928
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
propan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride
CID 45261540
trans-propan-2-yl (1R,2S)-1-nitro-2-phenylcyclopropane-1-carboxylate
CID 101223761
15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 59654389
trans-propan-2-yl (1R,5S)-1-hydroxy-3-methylidene-5-phenylcyclohexane-1-carboxylate
CID 10849938
cis-(1S,2S)-2-ethenyl-1-propan-2-yloxycarbonylcyclopropane-1-carboxylic acid
CID 56601612
cis-propan-2-yl (1S,2S)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 102250134
propan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 10517472

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate?
The IUPAC name of dipropan-2-yl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate (CID 14173409) is dipropan-2-yl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate.
What is the SMILES notation for dipropan-2-yl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate?
The canonical SMILES for dipropan-2-yl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate is CC(C)OC(=O)C1(C(=O)OC(C)C)CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of dipropan-2-yl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate?
The InChIKey is VVNSORKXPWDJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O4/c1-14(2)27-22(25)24(23(26)28-15(3)4)13-20-16-9-5-7-11-18(16)21(24)19-12-8-6-10-17(19)20/h5-12,14-15,20-21H,13H2,1-4H3.
What are the key properties of dipropan-2-yl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate?
dipropan-2-yl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate has a molecular weight of 378.47 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate is sourced from PubChem (CID 14173409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).