ethane;(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene

C24H40P2 — CID 91547889

IUPACethane;(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene
SMILESCC.CC.CC1=C(C)[C@]2(C)CP1C(C1=C(C)[C@@]3(C)CP1C(C)=C3C)=C2C
InChIInChI=1S/C20H28P2.2C2H6/c1-11-15(5)21-9-19(11,7)13(3)17(21)18-14(4)20(8)10-22(18)16(6)12(20)2;2*1-2/h9-10H2,1-8H3;2*1-2H3/t19-,20-,21?,22?;;/m0../s1
InChIKeyYLWYGUKXSWAFEP-HZDCTHNQSA-N
MW390.53 g/mol
LogP9.21
Rot. Bonds1

About ethane;(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene

ethane;(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene (PubChem CID 91547889) has the molecular formula C24H40P2 and a molecular weight of 390.53 g/mol. Its IUPAC name is ethane;(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Nameethane;(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene
PubChem CID91547889
Molecular FormulaC24H40P2
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Nameethane;(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene
SMILESCC.CC.CC1=C(C)[C@]2(C)CP1C(C1=C(C)[C@@]3(C)CP1C(C)=C3C)=C2C
InChIInChI=1S/C20H28P2.2C2H6/c1-11-15(5)21-9-19(11,7)13(3)17(21)18-14(4)20(8)10-22(18)16(6)12(20)2;2*1-2/h9-10H2,1-8H3;2*1-2H3/t19-,20-,21?,22?;;/m0../s1
InChIKeyYLWYGUKXSWAFEP-HZDCTHNQSA-N
XLogP9.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene with MolForge

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Related Compounds

(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene
CID 91533932
(4R)-2,3,4,5-tetramethyl-6-[(4S)-3,5,6-trimethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene
CID 59110897
(4S)-4,5-dimethyl-2,3-diphenyl-6-[(4R)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene
CID 59886641
(4R)-2,4,5-trimethyl-3,6-diphenyl-1-phosphabicyclo[2.2.1]hepta-2,5-diene
CID 147827670
(4R)-2-[(4R)-3,4-dimethyl-5,6-diphenyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-3,4-dimethyl-5,6-diphenyl-1-phosphabicyclo[2.2.1]hepta-2,5-diene;methane
CID 157154593
2-[(E)-2-(4,5-dimethyl-3,6-diphenyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl)ethenyl]-4,5-dimethyl-3,6-diphenyl-1-phosphabicyclo[2.2.1]hepta-2,5-diene
CID 102185960
(4,5-dimethyl-3,6-diphenyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl)-phenylmethanol
CID 72812040
(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
1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene
CID 86052906
1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene
CID 123953331
1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene
CID 160680879
4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one
CID 71439866

Frequently Asked Questions

What is the IUPAC name of ethane;(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of ethane;(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene (CID 91547889) is ethane;(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for ethane;(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for ethane;(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene is CC.CC.CC1=C(C)[C@]2(C)CP1C(C1=C(C)[C@@]3(C)CP1C(C)=C3C)=C2C.
What is the InChIKey of ethane;(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is YLWYGUKXSWAFEP-HZDCTHNQSA-N. The full InChI is InChI=1S/C20H28P2.2C2H6/c1-11-15(5)21-9-19(11,7)13(3)17(21)18-14(4)20(8)10-22(18)16(6)12(20)2;2*1-2/h9-10H2,1-8H3;2*1-2H3/t19-,20-,21?,22?;;/m0../s1.
What are the key properties of ethane;(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene?
ethane;(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 390.53 g/mol, XLogP of 9.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4S)-2,3,4,5-tetramethyl-6-[(4S)-3,4,5,6-tetramethyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-phosphabicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 91547889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).