(2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,34E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,34-tridecaene-1,36-diol

C50H72O2 — CID 122706041

IUPAC(2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,34E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,34-tridecaene-1,36-diol
SMILESC=C(C)C(C/C=C(\C)CO)CC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC(C/C=C(\C)CO)C(=C)C
InChIInChI=1S/C50H72O2/c1-39(2)49(35-31-47(11)37-51)33-29-45(9)27-17-25-43(7)23-15-21-41(5)19-13-14-20-42(6)22-16-24-44(8)26-18-28-46(10)30-34-50(40(3)4)36-32-48(12)38-52/h13-28,31-32,49-52H,1,3,29-30,33-38H2,2,4-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,41-19+,42-20+,43-23+,44-24+,45-27+,46-28+,47-31+,48-32+
InChIKeyAYPYRCXQBMEHMB-YHYHROLUSA-N
MW705.12 g/mol
LogP14.05
Rot. Bonds24

About (2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,34E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,34-tridecaene-1,36-diol

(2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,34E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,34-tridecaene-1,36-diol (PubChem CID 122706041) has the molecular formula C50H72O2 and a molecular weight of 705.12 g/mol. Its IUPAC name is (2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,34E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,34-tridecaene-1,36-diol.

Molecular Properties

Compound Name(2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,34E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,34-tridecaene-1,36-diol
PubChem CID122706041
Molecular FormulaC50H72O2
Molecular Weight705.12 g/mol
Exact Mass704.55
IUPAC Name(2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,34E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,34-tridecaene-1,36-diol
SMILESC=C(C)C(C/C=C(\C)CO)CC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC(C/C=C(\C)CO)C(=C)C
InChIInChI=1S/C50H72O2/c1-39(2)49(35-31-47(11)37-51)33-29-45(9)27-17-25-43(7)23-15-21-41(5)19-13-14-20-42(6)22-16-24-44(8)26-18-28-46(10)30-34-50(40(3)4)36-32-48(12)38-52/h13-28,31-32,49-52H,1,3,29-30,33-38H2,2,4-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,41-19+,42-20+,43-23+,44-24+,45-27+,46-28+,47-31+,48-32+
InChIKeyAYPYRCXQBMEHMB-YHYHROLUSA-N
XLogP14.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.12
LogP ≤ 514.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,34E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,34-tridecaene-1,36-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,34E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,34-tridecaene-1,36-diol?
The IUPAC name of (2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,34E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,34-tridecaene-1,36-diol (CID 122706041) is (2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,34E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,34-tridecaene-1,36-diol.
What is the SMILES notation for (2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,34E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,34-tridecaene-1,36-diol?
The canonical SMILES for (2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,34E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,34-tridecaene-1,36-diol is C=C(C)C(C/C=C(\C)CO)CC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC(C/C=C(\C)CO)C(=C)C.
What is the InChIKey of (2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,34E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,34-tridecaene-1,36-diol?
The InChIKey is AYPYRCXQBMEHMB-YHYHROLUSA-N. The full InChI is InChI=1S/C50H72O2/c1-39(2)49(35-31-47(11)37-51)33-29-45(9)27-17-25-43(7)23-15-21-41(5)19-13-14-20-42(6)22-16-24-44(8)26-18-28-46(10)30-34-50(40(3)4)36-32-48(12)38-52/h13-28,31-32,49-52H,1,3,29-30,33-38H2,2,4-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,41-19+,42-20+,43-23+,44-24+,45-27+,46-28+,47-31+,48-32+.
What are the key properties of (2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,34E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,34-tridecaene-1,36-diol?
(2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,34E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,34-tridecaene-1,36-diol has a molecular weight of 705.12 g/mol, XLogP of 14.05, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,34E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,34-tridecaene-1,36-diol is sourced from PubChem (CID 122706041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).