(2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde

C28H34O4 — CID 102076234

IUPAC(2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde
SMILESC/C1=C(\C)c2cc(cc(C=O)c2O)CCCCCCCCCCc2cc(C=O)c(O)c1c2
InChIInChI=1S/C28H34O4/c1-19-20(2)26-16-22(14-24(18-30)28(26)32)12-10-8-6-4-3-5-7-9-11-21-13-23(17-29)27(31)25(19)15-21/h13-18,31-32H,3-12H2,1-2H3/b20-19-
InChIKeyNAUAXHHAKRYNLC-VXPUYCOJSA-N
MW434.58 g/mol
LogP6.89
Rot. Bonds2

About (2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde

(2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde (PubChem CID 102076234) has the molecular formula C28H34O4 and a molecular weight of 434.58 g/mol. Its IUPAC name is (2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde.

Molecular Properties

Compound Name(2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde
PubChem CID102076234
Molecular FormulaC28H34O4
Molecular Weight434.58 g/mol
Exact Mass434.25
IUPAC Name(2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde
SMILESC/C1=C(\C)c2cc(cc(C=O)c2O)CCCCCCCCCCc2cc(C=O)c(O)c1c2
InChIInChI=1S/C28H34O4/c1-19-20(2)26-16-22(14-24(18-30)28(26)32)12-10-8-6-4-3-5-7-9-11-21-13-23(17-29)27(31)25(19)15-21/h13-18,31-32H,3-12H2,1-2H3/b20-19-
InChIKeyNAUAXHHAKRYNLC-VXPUYCOJSA-N
XLogP6.89
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde?
The IUPAC name of (2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde (CID 102076234) is (2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde.
What is the SMILES notation for (2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde?
The canonical SMILES for (2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde is C/C1=C(\C)c2cc(cc(C=O)c2O)CCCCCCCCCCc2cc(C=O)c(O)c1c2.
What is the InChIKey of (2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde?
The InChIKey is NAUAXHHAKRYNLC-VXPUYCOJSA-N. The full InChI is InChI=1S/C28H34O4/c1-19-20(2)26-16-22(14-24(18-30)28(26)32)12-10-8-6-4-3-5-7-9-11-21-13-23(17-29)27(31)25(19)15-21/h13-18,31-32H,3-12H2,1-2H3/b20-19-.
What are the key properties of (2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde?
(2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde has a molecular weight of 434.58 g/mol, XLogP of 6.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5,22-dihydroxy-2,3-dimethyltricyclo[17.3.1.14,8]tetracosa-1(23),2,4(24),5,7,19,21-heptaene-6,21-dicarbaldehyde is sourced from PubChem (CID 102076234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).