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

C16H21O3P — CID 98228976

IUPAC(1S,3S,5S,7S)-1,3,5,7-tetramethyl-8-phenyl-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)P3c1ccccc1)O2
InChIInChI=1S/C16H21O3P/c1-13-10-15(3)19-14(2,17-13)11-16(4,18-13)20(15)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3/t13-,14-,15-,16-/m0/s1
InChIKeyAVVSJWUWBATQBX-VGWMRTNUSA-N
MW292.31 g/mol
LogP3.53
Rot. Bonds1

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

(1S,3S,5S,7S)-1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane (PubChem CID 98228976) has the molecular formula C16H21O3P and a molecular weight of 292.31 g/mol. Its IUPAC name is (1S,3S,5S,7S)-1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name(1S,3S,5S,7S)-1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane
PubChem CID98228976
Molecular FormulaC16H21O3P
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name(1S,3S,5S,7S)-1,3,5,7-tetramethyl-8-phenyl-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)P3c1ccccc1)O2
InChIInChI=1S/C16H21O3P/c1-13-10-15(3)19-14(2,17-13)11-16(4,18-13)20(15)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3/t13-,14-,15-,16-/m0/s1
InChIKeyAVVSJWUWBATQBX-VGWMRTNUSA-N
XLogP3.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane
CID 160517252
8-bromo-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane
CID 58084288
[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
(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
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Frequently Asked Questions

What is the IUPAC name of (1S,3S,5S,7S)-1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane?
The IUPAC name of (1S,3S,5S,7S)-1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane (CID 98228976) is (1S,3S,5S,7S)-1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for (1S,3S,5S,7S)-1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane?
The canonical SMILES for (1S,3S,5S,7S)-1,3,5,7-tetramethyl-8-phenyl-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)P3c1ccccc1)O2.
What is the InChIKey of (1S,3S,5S,7S)-1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane?
The InChIKey is AVVSJWUWBATQBX-VGWMRTNUSA-N. The full InChI is InChI=1S/C16H21O3P/c1-13-10-15(3)19-14(2,17-13)11-16(4,18-13)20(15)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3/t13-,14-,15-,16-/m0/s1.
What are the key properties of (1S,3S,5S,7S)-1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane?
(1S,3S,5S,7S)-1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane has a molecular weight of 292.31 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5S,7S)-1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 98228976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).