[2-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane-8-carbonyl)phenyl]phenyl]-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)methanone

C34H40O8P2 — CID 142692169

IUPAC[2-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane-8-carbonyl)phenyl]phenyl]-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)methanone
SMILESCC12CC3(C)OC(C)(CC(C)(O1)P3C(=O)c1ccccc1-c1ccccc1C(=O)P1C3(C)CC4(C)OC(C)(CC1(C)O4)O3)O2
InChIInChI=1S/C34H40O8P2/c1-27-17-31(5)40-28(2,37-27)18-32(6,39-27)43(31)25(35)23-15-11-9-13-21(23)22-14-10-12-16-24(22)26(36)44-33(7)19-29(3)38-30(4,42-33)20-34(44,8)41-29/h9-16H,17-20H2,1-8H3
InChIKeyXDNSSGVUHQYPSJ-UHFFFAOYSA-N
MW638.63 g/mol
LogP8.07
Rot. Bonds5

About [2-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane-8-carbonyl)phenyl]phenyl]-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)methanone

[2-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane-8-carbonyl)phenyl]phenyl]-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)methanone (PubChem CID 142692169) has the molecular formula C34H40O8P2 and a molecular weight of 638.63 g/mol. Its IUPAC name is [2-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane-8-carbonyl)phenyl]phenyl]-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)methanone.

Molecular Properties

Compound Name[2-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane-8-carbonyl)phenyl]phenyl]-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)methanone
PubChem CID142692169
Molecular FormulaC34H40O8P2
Molecular Weight638.63 g/mol
Exact Mass638.22
IUPAC Name[2-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane-8-carbonyl)phenyl]phenyl]-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)methanone
SMILESCC12CC3(C)OC(C)(CC(C)(O1)P3C(=O)c1ccccc1-c1ccccc1C(=O)P1C3(C)CC4(C)OC(C)(CC1(C)O4)O3)O2
InChIInChI=1S/C34H40O8P2/c1-27-17-31(5)40-28(2,37-27)18-32(6,39-27)43(31)25(35)23-15-11-9-13-21(23)22-14-10-12-16-24(22)26(36)44-33(7)19-29(3)38-30(4,42-33)20-34(44,8)41-29/h9-16H,17-20H2,1-8H3
InChIKeyXDNSSGVUHQYPSJ-UHFFFAOYSA-N
XLogP8.07
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.63
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane-8-carbonyl)phenyl]phenyl]-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)methanone?
The IUPAC name of [2-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane-8-carbonyl)phenyl]phenyl]-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)methanone (CID 142692169) is [2-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane-8-carbonyl)phenyl]phenyl]-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)methanone.
What is the SMILES notation for [2-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane-8-carbonyl)phenyl]phenyl]-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)methanone?
The canonical SMILES for [2-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane-8-carbonyl)phenyl]phenyl]-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)methanone is CC12CC3(C)OC(C)(CC(C)(O1)P3C(=O)c1ccccc1-c1ccccc1C(=O)P1C3(C)CC4(C)OC(C)(CC1(C)O4)O3)O2.
What is the InChIKey of [2-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane-8-carbonyl)phenyl]phenyl]-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)methanone?
The InChIKey is XDNSSGVUHQYPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40O8P2/c1-27-17-31(5)40-28(2,37-27)18-32(6,39-27)43(31)25(35)23-15-11-9-13-21(23)22-14-10-12-16-24(22)26(36)44-33(7)19-29(3)38-30(4,42-33)20-34(44,8)41-29/h9-16H,17-20H2,1-8H3.
What are the key properties of [2-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane-8-carbonyl)phenyl]phenyl]-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)methanone?
[2-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane-8-carbonyl)phenyl]phenyl]-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)methanone has a molecular weight of 638.63 g/mol, XLogP of 8.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane-8-carbonyl)phenyl]phenyl]-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)methanone is sourced from PubChem (CID 142692169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).