13-tert-butyl-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

C24H21O2P — CID 11263230

IUPAC13-tert-butyl-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
SMILESCC(C)(C)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1
InChIInChI=1S/C24H21O2P/c1-24(2,3)27-25-20-14-12-16-8-4-6-10-18(16)22(20)23-19-11-7-5-9-17(19)13-15-21(23)26-27/h4-15H,1-3H3
InChIKeyUEPRZUTTXIDGES-UHFFFAOYSA-N
MW372.40 g/mol
LogP8.35
Rot. Bonds

About 13-tert-butyl-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-tert-butyl-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 11263230) has the molecular formula C24H21O2P and a molecular weight of 372.40 g/mol. Its IUPAC name is 13-tert-butyl-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 Name13-tert-butyl-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 CID11263230
Molecular FormulaC24H21O2P
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC Name13-tert-butyl-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
SMILESCC(C)(C)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1
InChIInChI=1S/C24H21O2P/c1-24(2,3)27-25-20-14-12-16-8-4-6-10-18(16)22(20)23-19-11-7-5-9-17(19)13-15-21(23)26-27/h4-15H,1-3H3
InChIKeyUEPRZUTTXIDGES-UHFFFAOYSA-N
XLogP8.35
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 13-tert-butyl-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 13-tert-butyl-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-tert-butyl-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 11263230) is 13-tert-butyl-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-tert-butyl-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-tert-butyl-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 CC(C)(C)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1.
What is the InChIKey of 13-tert-butyl-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 UEPRZUTTXIDGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21O2P/c1-24(2,3)27-25-20-14-12-16-8-4-6-10-18(16)22(20)23-19-11-7-5-9-17(19)13-15-21(23)26-27/h4-15H,1-3H3.
What are the key properties of 13-tert-butyl-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-tert-butyl-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 372.40 g/mol, XLogP of 8.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-tert-butyl-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 11263230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).