(3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile

C41H55N — CID 175971518

IUPAC(3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile
SMILESCC(C)=CCC/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)CC/C=C(\C)CC#N
InChIInChI=1S/C41H55N/c1-34(2)18-12-21-37(5)24-15-27-38(6)25-13-22-35(3)19-10-11-20-36(4)23-14-26-39(7)28-16-29-40(8)30-17-31-41(9)32-33-42/h10-11,13-16,18-20,22-29,31H,12,17,21,30,32H2,1-9H3/b11-10+,22-13+,23-14+,27-15+,28-16+,35-19+,36-20+,37-24+,38-25+,39-26+,40-29+,41-31+
InChIKeyRLKWJMADFCWWRQ-BURZLKRGSA-N
MW561.90 g/mol
LogP12.83
Rot. Bonds17

About (3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile

(3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile (PubChem CID 175971518) has the molecular formula C41H55N and a molecular weight of 561.90 g/mol. Its IUPAC name is (3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile.

Molecular Properties

Compound Name(3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile
PubChem CID175971518
Molecular FormulaC41H55N
Molecular Weight561.90 g/mol
Exact Mass561.43
IUPAC Name(3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile
SMILESCC(C)=CCC/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)CC/C=C(\C)CC#N
InChIInChI=1S/C41H55N/c1-34(2)18-12-21-37(5)24-15-27-38(6)25-13-22-35(3)19-10-11-20-36(4)23-14-26-39(7)28-16-29-40(8)30-17-31-41(9)32-33-42/h10-11,13-16,18-20,22-29,31H,12,17,21,30,32H2,1-9H3/b11-10+,22-13+,23-14+,27-15+,28-16+,35-19+,36-20+,37-24+,38-25+,39-26+,40-29+,41-31+
InChIKeyRLKWJMADFCWWRQ-BURZLKRGSA-N
XLogP12.83
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.90
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile with MolForge

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Related Compounds

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CID 58079855
2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaene
CID 53395140
2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene
CID 163002608
3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene
CID 123202578
(2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile
CID 14631544
(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenal
CID 175857792
(3E,5Z,7Z,9E)-6,10,14-trimethylpentadeca-3,5,7,9,13-pentaen-2-one
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(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaen-1-ol
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(2Z,4E,6E,8E,10E,12E,14E)-7,11,15,19-tetramethyl-2-[(1E,3E,5E,7E)-4,8,12-trimethyltrideca-1,3,5,7,11-pentaenyl]icosa-2,4,6,8,10,12,14,18-octaenal
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Frequently Asked Questions

What is the IUPAC name of (3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile?
The IUPAC name of (3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile (CID 175971518) is (3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile.
What is the SMILES notation for (3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile?
The canonical SMILES for (3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile is CC(C)=CCC/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)CC/C=C(\C)CC#N.
What is the InChIKey of (3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile?
The InChIKey is RLKWJMADFCWWRQ-BURZLKRGSA-N. The full InChI is InChI=1S/C41H55N/c1-34(2)18-12-21-37(5)24-15-27-38(6)25-13-22-35(3)19-10-11-20-36(4)23-14-26-39(7)28-16-29-40(8)30-17-31-41(9)32-33-42/h10-11,13-16,18-20,22-29,31H,12,17,21,30,32H2,1-9H3/b11-10+,22-13+,23-14+,27-15+,28-16+,35-19+,36-20+,37-24+,38-25+,39-26+,40-29+,41-31+.
What are the key properties of (3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile?
(3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile has a molecular weight of 561.90 g/mol, XLogP of 12.83, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile is sourced from PubChem (CID 175971518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).