(7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide

C23H32O2P2 — CID 59887545

IUPAC(7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide
SMILESCC1=C(C)P2(=O)C3=C(C(C)(C)C4=C3P3(=O)C(C)=C(C)[C@@]4(C)C3C)[C@@]1(C)C2C
InChIInChI=1S/C23H32O2P2/c1-11-13(3)26(24)15(5)22(11,9)19-17(26)18-20(21(19,7)8)23(10)12(2)14(4)27(18,25)16(23)6/h15-16H,1-10H3/t15?,16?,22-,23+,26?,27?
InChIKeySHNAKYKIXOXQBT-DNHXYRCZSA-N
MW402.46 g/mol
LogP7.69
Rot. Bonds

About (7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide

(7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide (PubChem CID 59887545) has the molecular formula C23H32O2P2 and a molecular weight of 402.46 g/mol. Its IUPAC name is (7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide.

Molecular Properties

Compound Name(7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide
PubChem CID59887545
Molecular FormulaC23H32O2P2
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name(7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide
SMILESCC1=C(C)P2(=O)C3=C(C(C)(C)C4=C3P3(=O)C(C)=C(C)[C@@]4(C)C3C)[C@@]1(C)C2C
InChIInChI=1S/C23H32O2P2/c1-11-13(3)26(24)15(5)22(11,9)19-17(26)18-20(21(19,7)8)23(10)12(2)14(4)27(18,25)16(23)6/h15-16H,1-10H3/t15?,16?,22-,23+,26?,27?
InChIKeySHNAKYKIXOXQBT-DNHXYRCZSA-N
XLogP7.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide?
The IUPAC name of (7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide (CID 59887545) is (7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide.
What is the SMILES notation for (7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide?
The canonical SMILES for (7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide is CC1=C(C)P2(=O)C3=C(C(C)(C)C4=C3P3(=O)C(C)=C(C)[C@@]4(C)C3C)[C@@]1(C)C2C.
What is the InChIKey of (7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide?
The InChIKey is SHNAKYKIXOXQBT-DNHXYRCZSA-N. The full InChI is InChI=1S/C23H32O2P2/c1-11-13(3)26(24)15(5)22(11,9)19-17(26)18-20(21(19,7)8)23(10)12(2)14(4)27(18,25)16(23)6/h15-16H,1-10H3/t15?,16?,22-,23+,26?,27?.
What are the key properties of (7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide?
(7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide has a molecular weight of 402.46 g/mol, XLogP of 7.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide is sourced from PubChem (CID 59887545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).