(1R,3S,5S,7R)-1,3,5,7-tetramethyl-8-[2-[(1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl]ethyl]-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane

C22H36O6P2 — CID 100970985

IUPAC(1R,3S,5S,7R)-1,3,5,7-tetramethyl-8-[2-[(1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl]ethyl]-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane
SMILESC[C@@]12C[C@]3(C)O[C@@](C)(C[C@](C)(O1)P3CCP1[C@]3(C)C[C@@]4(C)O[C@](C)(C[C@]1(C)O4)O3)O2
InChIInChI=1S/C22H36O6P2/c1-15-11-19(5)26-16(2,23-15)12-20(6,25-15)29(19)9-10-30-21(7)13-17(3)24-18(4,28-21)14-22(30,8)27-17/h9-14H2,1-8H3/t15-,16-,17-,18-,19+,20+,21+,22+/m0/s1
InChIKeyPTPFVHYOOBNNAM-YRIMVJGQSA-N
MW458.47 g/mol
LogP5.42
Rot. Bonds3

About (1R,3S,5S,7R)-1,3,5,7-tetramethyl-8-[2-[(1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl]ethyl]-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane

(1R,3S,5S,7R)-1,3,5,7-tetramethyl-8-[2-[(1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl]ethyl]-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane (PubChem CID 100970985) has the molecular formula C22H36O6P2 and a molecular weight of 458.47 g/mol. Its IUPAC name is (1R,3S,5S,7R)-1,3,5,7-tetramethyl-8-[2-[(1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl]ethyl]-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name(1R,3S,5S,7R)-1,3,5,7-tetramethyl-8-[2-[(1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl]ethyl]-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane
PubChem CID100970985
Molecular FormulaC22H36O6P2
Molecular Weight458.47 g/mol
Exact Mass458.20
IUPAC Name(1R,3S,5S,7R)-1,3,5,7-tetramethyl-8-[2-[(1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl]ethyl]-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane
SMILESC[C@@]12C[C@]3(C)O[C@@](C)(C[C@](C)(O1)P3CCP1[C@]3(C)C[C@@]4(C)O[C@](C)(C[C@]1(C)O4)O3)O2
InChIInChI=1S/C22H36O6P2/c1-15-11-19(5)26-16(2,23-15)12-20(6,25-15)29(19)9-10-30-21(7)13-17(3)24-18(4,28-21)14-22(30,8)27-17/h9-14H2,1-8H3/t15-,16-,17-,18-,19+,20+,21+,22+/m0/s1
InChIKeyPTPFVHYOOBNNAM-YRIMVJGQSA-N
XLogP5.42
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.47
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,3S,5S,7R)-1,3,5,7-tetramethyl-8-[2-[(1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl]ethyl]-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S,7R)-1,3,5,7-tetramethyl-8-[2-[(1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl]ethyl]-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane?
The IUPAC name of (1R,3S,5S,7R)-1,3,5,7-tetramethyl-8-[2-[(1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl]ethyl]-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane (CID 100970985) is (1R,3S,5S,7R)-1,3,5,7-tetramethyl-8-[2-[(1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl]ethyl]-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for (1R,3S,5S,7R)-1,3,5,7-tetramethyl-8-[2-[(1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl]ethyl]-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane?
The canonical SMILES for (1R,3S,5S,7R)-1,3,5,7-tetramethyl-8-[2-[(1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl]ethyl]-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane is C[C@@]12C[C@]3(C)O[C@@](C)(C[C@](C)(O1)P3CCP1[C@]3(C)C[C@@]4(C)O[C@](C)(C[C@]1(C)O4)O3)O2.
What is the InChIKey of (1R,3S,5S,7R)-1,3,5,7-tetramethyl-8-[2-[(1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl]ethyl]-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane?
The InChIKey is PTPFVHYOOBNNAM-YRIMVJGQSA-N. The full InChI is InChI=1S/C22H36O6P2/c1-15-11-19(5)26-16(2,23-15)12-20(6,25-15)29(19)9-10-30-21(7)13-17(3)24-18(4,28-21)14-22(30,8)27-17/h9-14H2,1-8H3/t15-,16-,17-,18-,19+,20+,21+,22+/m0/s1.
What are the key properties of (1R,3S,5S,7R)-1,3,5,7-tetramethyl-8-[2-[(1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl]ethyl]-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane?
(1R,3S,5S,7R)-1,3,5,7-tetramethyl-8-[2-[(1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl]ethyl]-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane has a molecular weight of 458.47 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S,7R)-1,3,5,7-tetramethyl-8-[2-[(1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl]ethyl]-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 100970985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).