10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

C23H19O2P — CID 23592736

IUPAC10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESCc1cc2ccccc2c2c1op(C)oc1c(C)cc3ccccc3c12
InChIInChI=1S/C23H19O2P/c1-14-12-16-8-4-6-10-18(16)20-21-19-11-7-5-9-17(19)13-15(2)23(21)25-26(3)24-22(14)20/h4-13H,1-3H3
InChIKeyPWAWJXCVYDVBRW-UHFFFAOYSA-N
MW358.38 g/mol
LogP7.75
Rot. Bonds

About 10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (PubChem CID 23592736) has the molecular formula C23H19O2P and a molecular weight of 358.38 g/mol. Its IUPAC name is 10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.

Molecular Properties

Compound Name10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
PubChem CID23592736
Molecular FormulaC23H19O2P
Molecular Weight358.38 g/mol
Exact Mass358.11
IUPAC Name10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESCc1cc2ccccc2c2c1op(C)oc1c(C)cc3ccccc3c12
InChIInChI=1S/C23H19O2P/c1-14-12-16-8-4-6-10-18(16)20-21-19-11-7-5-9-17(19)13-15(2)23(21)25-26(3)24-22(14)20/h4-13H,1-3H3
InChIKeyPWAWJXCVYDVBRW-UHFFFAOYSA-N
XLogP7.75
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.38
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The IUPAC name of 10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (CID 23592736) is 10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.
What is the SMILES notation for 10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The canonical SMILES for 10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is Cc1cc2ccccc2c2c1op(C)oc1c(C)cc3ccccc3c12.
What is the InChIKey of 10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The InChIKey is PWAWJXCVYDVBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19O2P/c1-14-12-16-8-4-6-10-18(16)20-21-19-11-7-5-9-17(19)13-15(2)23(21)25-26(3)24-22(14)20/h4-13H,1-3H3.
What are the key properties of 10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene has a molecular weight of 358.38 g/mol, XLogP of 7.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is sourced from PubChem (CID 23592736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).