nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol

C34H22O — CID 11532417

About nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol

nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol (PubChem CID 11532417) has the molecular formula C34H22O and a molecular weight of 446.55 g/mol. Its IUPAC name is nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol.

Molecular Properties

• Compound Name: nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol
• PubChem CID: 11532417
• Molecular Formula: C34H22O
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.17
• IUPAC Name: nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol
• SMILES: Oc1c2c(cc3c1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21
• InChI: InChI=1S/C34H22O/c35-34-32-26(28-18-9-1-5-13-22(18)30(32)23-14-6-2-10-19(23)28)17-27-29-20-11-3-7-15-24(20)31(33(27)34)25-16-8-4-12-21(25)29/h1-17,28-31,35H
• InChIKey: XPDHLFSHTZXNMF-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.55
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol?

The IUPAC name of nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol (CID 11532417) is nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol.

What is the SMILES notation for nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol?

The canonical SMILES for nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol is Oc1c2c(cc3c1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21.

What is the InChIKey of nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol?

The InChIKey is XPDHLFSHTZXNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22O/c35-34-32-26(28-18-9-1-5-13-22(18)30(32)23-14-6-2-10-19(23)28)17-27-29-20-11-3-7-15-24(20)31(33(27)34)25-16-8-4-12-21(25)29/h1-17,28-31,35H.

What are the key properties of nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol?

nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol has a molecular weight of 446.55 g/mol, XLogP of 7.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol is sourced from PubChem (CID 11532417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).