15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene

C37H29O5P — CID 70967761

IUPAC15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene
SMILESc1ccc([C@H]2CCCC[C@H]2OP2Oc3cccc4c3C3(c5ccccc5O4)c4ccccc4Oc4cccc(c43)O2)cc1
InChIInChI=1S/C37H29O5P/c1-2-12-24(13-3-1)25-14-4-7-17-28(25)40-43-41-33-22-10-20-31-35(33)37(26-15-5-8-18-29(26)38-31)27-16-6-9-19-30(27)39-32-21-11-23-34(42-43)36(32)37/h1-3,5-6,8-13,15-16,18-23,25,28H,4,7,14,17H2/t25-,28-,37?/m1/s1
InChIKeyQDKMOSWVMWVRAX-BOCBNTABSA-N
MW584.61 g/mol
LogP10.02
Rot. Bonds3

About 15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene

15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene (PubChem CID 70967761) has the molecular formula C37H29O5P and a molecular weight of 584.61 g/mol. Its IUPAC name is 15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene.

Molecular Properties

Compound Name15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene
PubChem CID70967761
Molecular FormulaC37H29O5P
Molecular Weight584.61 g/mol
Exact Mass584.18
IUPAC Name15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene
SMILESc1ccc([C@H]2CCCC[C@H]2OP2Oc3cccc4c3C3(c5ccccc5O4)c4ccccc4Oc4cccc(c43)O2)cc1
InChIInChI=1S/C37H29O5P/c1-2-12-24(13-3-1)25-14-4-7-17-28(25)40-43-41-33-22-10-20-31-35(33)37(26-15-5-8-18-29(26)38-31)27-16-6-9-19-30(27)39-32-21-11-23-34(42-43)36(32)37/h1-3,5-6,8-13,15-16,18-23,25,28H,4,7,14,17H2/t25-,28-,37?/m1/s1
InChIKeyQDKMOSWVMWVRAX-BOCBNTABSA-N
XLogP10.02
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.61
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene?
The IUPAC name of 15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene (CID 70967761) is 15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene.
What is the SMILES notation for 15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene?
The canonical SMILES for 15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene is c1ccc([C@H]2CCCC[C@H]2OP2Oc3cccc4c3C3(c5ccccc5O4)c4ccccc4Oc4cccc(c43)O2)cc1.
What is the InChIKey of 15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene?
The InChIKey is QDKMOSWVMWVRAX-BOCBNTABSA-N. The full InChI is InChI=1S/C37H29O5P/c1-2-12-24(13-3-1)25-14-4-7-17-28(25)40-43-41-33-22-10-20-31-35(33)37(26-15-5-8-18-29(26)38-31)27-16-6-9-19-30(27)39-32-21-11-23-34(42-43)36(32)37/h1-3,5-6,8-13,15-16,18-23,25,28H,4,7,14,17H2/t25-,28-,37?/m1/s1.
What are the key properties of 15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene?
15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene has a molecular weight of 584.61 g/mol, XLogP of 10.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene is sourced from PubChem (CID 70967761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).