17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene

C36H26O2 — CID 58261464

IUPAC17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene
SMILESCC1(C)c2cc3c(cc2-c2c1ccc1c2oc2ccccc21)C(C)(C)c1ccc2c(oc4ccccc42)c1-3
InChIInChI=1S/C36H26O2/c1-35(2)25-15-13-21-19-9-5-7-11-29(19)37-33(21)31(25)23-18-28-24(17-27(23)35)32-26(36(28,3)4)16-14-22-20-10-6-8-12-30(20)38-34(22)32/h5-18H,1-4H3
InChIKeyMZSHXQVTBCAGFH-UHFFFAOYSA-N
MW490.60 g/mol
LogP10.10
Rot. Bonds

About 17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene

17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene (PubChem CID 58261464) has the molecular formula C36H26O2 and a molecular weight of 490.60 g/mol. Its IUPAC name is 17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene.

Molecular Properties

Compound Name17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene
PubChem CID58261464
Molecular FormulaC36H26O2
Molecular Weight490.60 g/mol
Exact Mass490.19
IUPAC Name17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene
SMILESCC1(C)c2cc3c(cc2-c2c1ccc1c2oc2ccccc21)C(C)(C)c1ccc2c(oc4ccccc42)c1-3
InChIInChI=1S/C36H26O2/c1-35(2)25-15-13-21-19-9-5-7-11-29(19)37-33(21)31(25)23-18-28-24(17-27(23)35)32-26(36(28,3)4)16-14-22-20-10-6-8-12-30(20)38-34(22)32/h5-18H,1-4H3
InChIKeyMZSHXQVTBCAGFH-UHFFFAOYSA-N
XLogP10.10
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene?
The IUPAC name of 17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene (CID 58261464) is 17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene.
What is the SMILES notation for 17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene?
The canonical SMILES for 17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene is CC1(C)c2cc3c(cc2-c2c1ccc1c2oc2ccccc21)C(C)(C)c1ccc2c(oc4ccccc42)c1-3.
What is the InChIKey of 17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene?
The InChIKey is MZSHXQVTBCAGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26O2/c1-35(2)25-15-13-21-19-9-5-7-11-29(19)37-33(21)31(25)23-18-28-24(17-27(23)35)32-26(36(28,3)4)16-14-22-20-10-6-8-12-30(20)38-34(22)32/h5-18H,1-4H3.
What are the key properties of 17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene?
17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene has a molecular weight of 490.60 g/mol, XLogP of 10.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene is sourced from PubChem (CID 58261464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).