(10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide

C24H33O7P — CID 102392416

IUPAC(10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide
SMILESCCOP1(=O)c2ccccc2O[C@H](C)COCCOCCOC[C@@H](C)Oc2ccccc21
InChIInChI=1S/C24H33O7P/c1-4-29-32(25)23-11-7-5-9-21(23)30-19(2)17-27-15-13-26-14-16-28-18-20(3)31-22-10-6-8-12-24(22)32/h5-12,19-20H,4,13-18H2,1-3H3/t19-,20-/m1/s1
InChIKeyUDSKWRPFRPQAIN-WOJBJXKFSA-N
MW464.50 g/mol
LogP3.55
Rot. Bonds2

About (10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide

(10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide (PubChem CID 102392416) has the molecular formula C24H33O7P and a molecular weight of 464.50 g/mol. Its IUPAC name is (10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide.

Molecular Properties

Compound Name(10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide
PubChem CID102392416
Molecular FormulaC24H33O7P
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC Name(10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide
SMILESCCOP1(=O)c2ccccc2O[C@H](C)COCCOCCOC[C@@H](C)Oc2ccccc21
InChIInChI=1S/C24H33O7P/c1-4-29-32(25)23-11-7-5-9-21(23)30-19(2)17-27-15-13-26-14-16-28-18-20(3)31-22-10-6-8-12-24(22)32/h5-12,19-20H,4,13-18H2,1-3H3/t19-,20-/m1/s1
InChIKeyUDSKWRPFRPQAIN-WOJBJXKFSA-N
XLogP3.55
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide?
The IUPAC name of (10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide (CID 102392416) is (10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide.
What is the SMILES notation for (10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide?
The canonical SMILES for (10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide is CCOP1(=O)c2ccccc2O[C@H](C)COCCOCCOC[C@@H](C)Oc2ccccc21.
What is the InChIKey of (10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide?
The InChIKey is UDSKWRPFRPQAIN-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H33O7P/c1-4-29-32(25)23-11-7-5-9-21(23)30-19(2)17-27-15-13-26-14-16-28-18-20(3)31-22-10-6-8-12-24(22)32/h5-12,19-20H,4,13-18H2,1-3H3/t19-,20-/m1/s1.
What are the key properties of (10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide?
(10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide has a molecular weight of 464.50 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide is sourced from PubChem (CID 102392416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).