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

C23H32P2 — CID 59887544

IUPAC(7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene
SMILESCC1=C(C)[C@@]2(C)C3=C(C4=C(C3(C)C)[C@]3(C)C(C)=C(C)[P@]4C3C)[P@@]1C2C
InChIInChI=1S/C23H32P2/c1-11-13(3)24-15(5)22(11,9)19-17(24)18-20(21(19,7)8)23(10)12(2)14(4)25(18)16(23)6/h15-16H,1-10H3/t15?,16?,22-,23-,24-,25-/m1/s1
InChIKeyCFBZPGQOTXSBSQ-FUZNWVHRSA-N
MW370.46 g/mol
LogP7.93
Rot. Bonds

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

(7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene (PubChem CID 59887544) has the molecular formula C23H32P2 and a molecular weight of 370.46 g/mol. Its IUPAC name is (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene.

Molecular Properties

Compound Name(7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene
PubChem CID59887544
Molecular FormulaC23H32P2
Molecular Weight370.46 g/mol
Exact Mass370.20
IUPAC Name(7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene
SMILESCC1=C(C)[C@@]2(C)C3=C(C4=C(C3(C)C)[C@]3(C)C(C)=C(C)[P@]4C3C)[P@@]1C2C
InChIInChI=1S/C23H32P2/c1-11-13(3)24-15(5)22(11,9)19-17(24)18-20(21(19,7)8)23(10)12(2)14(4)25(18)16(23)6/h15-16H,1-10H3/t15?,16?,22-,23-,24-,25-/m1/s1
InChIKeyCFBZPGQOTXSBSQ-FUZNWVHRSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene?
The IUPAC name of (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene (CID 59887544) is (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene.
What is the SMILES notation for (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene?
The canonical SMILES for (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene is CC1=C(C)[C@@]2(C)C3=C(C4=C(C3(C)C)[C@]3(C)C(C)=C(C)[P@]4C3C)[P@@]1C2C.
What is the InChIKey of (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene?
The InChIKey is CFBZPGQOTXSBSQ-FUZNWVHRSA-N. The full InChI is InChI=1S/C23H32P2/c1-11-13(3)24-15(5)22(11,9)19-17(24)18-20(21(19,7)8)23(10)12(2)14(4)25(18)16(23)6/h15-16H,1-10H3/t15?,16?,22-,23-,24-,25-/m1/s1.
What are the key properties of (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene?
(7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene has a molecular weight of 370.46 g/mol, XLogP of 7.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene is sourced from PubChem (CID 59887544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).