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

C21H28P2 — CID 59090069

IUPAC(7R,11R)-5,6,7,9,9,11,12,13-octamethyl-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)C[P@]1C1=C2C(C)(C)C2=C1[P@@]1C[C@]2(C)C(C)=C1C
InChIInChI=1S/C21H28P2/c1-11-13(3)22-9-20(11,7)17-15(22)16-18(19(17,5)6)21(8)10-23(16)14(4)12(21)2/h9-10H2,1-8H3/t20-,21-,22+,23+/m1/s1
InChIKeyROVGVIXQDGGCLW-LUKWVAJMSA-N
MW342.40 g/mol
LogP7.15
Rot. Bonds

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

(7R,11R)-5,6,7,9,9,11,12,13-octamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene (PubChem CID 59090069) has the molecular formula C21H28P2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (7R,11R)-5,6,7,9,9,11,12,13-octamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene.

Molecular Properties

Compound Name(7R,11R)-5,6,7,9,9,11,12,13-octamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene
PubChem CID59090069
Molecular FormulaC21H28P2
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(7R,11R)-5,6,7,9,9,11,12,13-octamethyl-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)C[P@]1C1=C2C(C)(C)C2=C1[P@@]1C[C@]2(C)C(C)=C1C
InChIInChI=1S/C21H28P2/c1-11-13(3)22-9-20(11,7)17-15(22)16-18(19(17,5)6)21(8)10-23(16)14(4)12(21)2/h9-10H2,1-8H3/t20-,21-,22+,23+/m1/s1
InChIKeyROVGVIXQDGGCLW-LUKWVAJMSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (7R,11R)-5,6,7,9,9,11,12,13-octamethyl-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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Related Compounds

(7S,11S)-5,6,7,9,9,11,12,13-octamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene
CID 59090070
(7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1lambda5,4lambda5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene
CID 59887535
(7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1lambda5,4lambda5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene
CID 59887536
(7R,11R)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1lambda5,4lambda5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene
CID 59887537
(7R,11R)-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 59887538
(7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1lambda5,4lambda5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide
CID 59887539
(7R,11R)-5,6,7,9,9,11,12,13,14,15-decamethyl-1lambda5,4lambda5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide
CID 59887541
(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
(7R,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1lambda5,4lambda5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide
CID 59887545
(7R,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 59887547
(7R,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 90930140
(7S,11S)-5,6,7,9,9,11,12,13-octamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene
CID 91102815

Frequently Asked Questions

What is the IUPAC name of (7R,11R)-5,6,7,9,9,11,12,13-octamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene?
The IUPAC name of (7R,11R)-5,6,7,9,9,11,12,13-octamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene (CID 59090069) is (7R,11R)-5,6,7,9,9,11,12,13-octamethyl-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 (7R,11R)-5,6,7,9,9,11,12,13-octamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene?
The canonical SMILES for (7R,11R)-5,6,7,9,9,11,12,13-octamethyl-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)C[P@]1C1=C2C(C)(C)C2=C1[P@@]1C[C@]2(C)C(C)=C1C.
What is the InChIKey of (7R,11R)-5,6,7,9,9,11,12,13-octamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene?
The InChIKey is ROVGVIXQDGGCLW-LUKWVAJMSA-N. The full InChI is InChI=1S/C21H28P2/c1-11-13(3)22-9-20(11,7)17-15(22)16-18(19(17,5)6)21(8)10-23(16)14(4)12(21)2/h9-10H2,1-8H3/t20-,21-,22+,23+/m1/s1.
What are the key properties of (7R,11R)-5,6,7,9,9,11,12,13-octamethyl-1,4-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene?
(7R,11R)-5,6,7,9,9,11,12,13-octamethyl-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 342.40 g/mol, XLogP of 7.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11R)-5,6,7,9,9,11,12,13-octamethyl-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 59090069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).