13-cyclopenta-2,4-dien-1-yl-10,16-dimethyl-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

C27H21O2P — CID 22981763

About 13-cyclopenta-2,4-dien-1-yl-10,16-dimethyl-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

13-cyclopenta-2,4-dien-1-yl-10,16-dimethyl-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 22981763) has the molecular formula C27H21O2P and a molecular weight of 408.44 g/mol. Its IUPAC name is 13-cyclopenta-2,4-dien-1-yl-10,16-dimethyl-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 Name: 13-cyclopenta-2,4-dien-1-yl-10,16-dimethyl-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: 22981763
• Molecular Formula: C27H21O2P
• Molecular Weight: 408.44 g/mol
• Exact Mass: 408.13
• IUPAC Name: 13-cyclopenta-2,4-dien-1-yl-10,16-dimethyl-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
• SMILES: Cc1cc2ccccc2c2c1op(C1C=CC=C1)oc1c(C)cc3ccccc3c12
• InChI: InChI=1S/C27H21O2P/c1-17-15-19-9-3-7-13-22(19)24-25-23-14-8-4-10-20(23)16-18(2)27(25)29-30(28-26(17)24)21-11-5-6-12-21/h3-16,21H,1-2H3
• InChIKey: GLJSWUDJESRBIO-UHFFFAOYSA-N
• XLogP: 8.88
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.44
LogP ≤ 5	8.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 13-cyclopenta-2,4-dien-1-yl-10,16-dimethyl-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 13-cyclopenta-2,4-dien-1-yl-10,16-dimethyl-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 22981763) is 13-cyclopenta-2,4-dien-1-yl-10,16-dimethyl-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 13-cyclopenta-2,4-dien-1-yl-10,16-dimethyl-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 13-cyclopenta-2,4-dien-1-yl-10,16-dimethyl-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(C1C=CC=C1)oc1c(C)cc3ccccc3c12.

What is the InChIKey of 13-cyclopenta-2,4-dien-1-yl-10,16-dimethyl-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 GLJSWUDJESRBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21O2P/c1-17-15-19-9-3-7-13-22(19)24-25-23-14-8-4-10-20(23)16-18(2)27(25)29-30(28-26(17)24)21-11-5-6-12-21/h3-16,21H,1-2H3.

What are the key properties of 13-cyclopenta-2,4-dien-1-yl-10,16-dimethyl-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?

13-cyclopenta-2,4-dien-1-yl-10,16-dimethyl-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 408.44 g/mol, XLogP of 8.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 13-cyclopenta-2,4-dien-1-yl-10,16-dimethyl-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 22981763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).