(10,14-dimethyl-13-nonacyclo[23.6.2.18,12.02,20.05,19.07,17.022,32.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8,10,12,14,16(34),18,21,23,25(33),26,28,30-heptadecaenyl)methanol

C37H24O — CID 155786171

About (10,14-dimethyl-13-nonacyclo[23.6.2.18,12.02,20.05,19.07,17.022,32.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8,10,12,14,16(34),18,21,23,25(33),26,28,30-heptadecaenyl)methanol

(10,14-dimethyl-13-nonacyclo[23.6.2.18,12.02,20.05,19.07,17.022,32.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8,10,12,14,16(34),18,21,23,25(33),26,28,30-heptadecaenyl)methanol (PubChem CID 155786171) has the molecular formula C37H24O and a molecular weight of 484.60 g/mol. Its IUPAC name is (10,14-dimethyl-13-nonacyclo[23.6.2.18,12.02,20.05,19.07,17.022,32.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8,10,12,14,16(34),18,21,23,25(33),26,28,30-heptadecaenyl)methanol.

Molecular Properties

• Compound Name: (10,14-dimethyl-13-nonacyclo[23.6.2.18,12.02,20.05,19.07,17.022,32.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8,10,12,14,16(34),18,21,23,25(33),26,28,30-heptadecaenyl)methanol
• PubChem CID: 155786171
• Molecular Formula: C37H24O
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.18
• IUPAC Name: (10,14-dimethyl-13-nonacyclo[23.6.2.18,12.02,20.05,19.07,17.022,32.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8,10,12,14,16(34),18,21,23,25(33),26,28,30-heptadecaenyl)methanol
• SMILES: Cc1cc2c3c(cc(C)c(CO)c3c1)-c1cc3c(ccc4c3cc3ccc5cccc6ccc4c3c56)cc1-2
• InChI: InChI=1S/C37H24O/c1-19-12-31-29-15-23-9-10-25-26-11-8-22-5-3-4-21-6-7-24(36(26)35(21)22)16-28(25)27(23)17-30(29)33-14-20(2)34(18-38)32(13-19)37(31)33/h3-17,38H,18H2,1-2H3
• InChIKey: SQCQTHAJMHTHQE-UHFFFAOYSA-N
• XLogP: 9.80
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	9.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (10,14-dimethyl-13-nonacyclo[23.6.2.18,12.02,20.05,19.07,17.022,32.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8,10,12,14,16(34),18,21,23,25(33),26,28,30-heptadecaenyl)methanol?

The IUPAC name of (10,14-dimethyl-13-nonacyclo[23.6.2.18,12.02,20.05,19.07,17.022,32.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8,10,12,14,16(34),18,21,23,25(33),26,28,30-heptadecaenyl)methanol (CID 155786171) is (10,14-dimethyl-13-nonacyclo[23.6.2.18,12.02,20.05,19.07,17.022,32.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8,10,12,14,16(34),18,21,23,25(33),26,28,30-heptadecaenyl)methanol.

What is the SMILES notation for (10,14-dimethyl-13-nonacyclo[23.6.2.18,12.02,20.05,19.07,17.022,32.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8,10,12,14,16(34),18,21,23,25(33),26,28,30-heptadecaenyl)methanol?

The canonical SMILES for (10,14-dimethyl-13-nonacyclo[23.6.2.18,12.02,20.05,19.07,17.022,32.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8,10,12,14,16(34),18,21,23,25(33),26,28,30-heptadecaenyl)methanol is Cc1cc2c3c(cc(C)c(CO)c3c1)-c1cc3c(ccc4c3cc3ccc5cccc6ccc4c3c56)cc1-2.

What is the InChIKey of (10,14-dimethyl-13-nonacyclo[23.6.2.18,12.02,20.05,19.07,17.022,32.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8,10,12,14,16(34),18,21,23,25(33),26,28,30-heptadecaenyl)methanol?

The InChIKey is SQCQTHAJMHTHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24O/c1-19-12-31-29-15-23-9-10-25-26-11-8-22-5-3-4-21-6-7-24(36(26)35(21)22)16-28(25)27(23)17-30(29)33-14-20(2)34(18-38)32(13-19)37(31)33/h3-17,38H,18H2,1-2H3.

What are the key properties of (10,14-dimethyl-13-nonacyclo[23.6.2.18,12.02,20.05,19.07,17.022,32.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8,10,12,14,16(34),18,21,23,25(33),26,28,30-heptadecaenyl)methanol?

(10,14-dimethyl-13-nonacyclo[23.6.2.18,12.02,20.05,19.07,17.022,32.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8,10,12,14,16(34),18,21,23,25(33),26,28,30-heptadecaenyl)methanol has a molecular weight of 484.60 g/mol, XLogP of 9.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (10,14-dimethyl-13-nonacyclo[23.6.2.18,12.02,20.05,19.07,17.022,32.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8,10,12,14,16(34),18,21,23,25(33),26,28,30-heptadecaenyl)methanol is sourced from PubChem (CID 155786171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).