2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene

C45H62 — CID 123174328

IUPAC2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene
SMILESCC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C
InChIInChI=1S/C45H62/c1-37(2)21-14-25-41(7)29-18-33-43(9)31-16-27-39(5)23-12-13-24-40(6)28-17-32-44(10)35-20-36-45(11)34-19-30-42(8)26-15-22-38(3)4/h12-13,16-24,27-36H,14-15,25-26H2,1-11H3
InChIKeyFLXPAPNJWCGFDT-UHFFFAOYSA-N
MW602.99 g/mol
LogP14.44
Rot. Bonds18

About 2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene

2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene (PubChem CID 123174328) has the molecular formula C45H62 and a molecular weight of 602.99 g/mol. Its IUPAC name is 2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene.

Molecular Properties

Compound Name2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene
PubChem CID123174328
Molecular FormulaC45H62
Molecular Weight602.99 g/mol
Exact Mass602.49
IUPAC Name2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene
SMILESCC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C
InChIInChI=1S/C45H62/c1-37(2)21-14-25-41(7)29-18-33-43(9)31-16-27-39(5)23-12-13-24-40(6)28-17-32-44(10)35-20-36-45(11)34-19-30-42(8)26-15-22-38(3)4/h12-13,16-24,27-36H,14-15,25-26H2,1-11H3
InChIKeyFLXPAPNJWCGFDT-UHFFFAOYSA-N
XLogP14.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.99
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6E,8E,10Z,12E,14Z,16E,18Z,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
CID 21145326
(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene
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
3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene
CID 123202578
2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene
CID 163002608
(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
(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaen-1-ol
CID 24860841
(3E,5Z,7Z,9E)-6,10,14-trimethylpentadeca-3,5,7,9,13-pentaen-2-one
CID 134820096
2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene
CID 73229485
(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
CID 151526164
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,26-dodecaenoic acid
CID 50986066
3,7,11-trimethyldodeca-2,4,6,10-tetraenal
CID 549769

Frequently Asked Questions

What is the IUPAC name of 2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene?
The IUPAC name of 2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene (CID 123174328) is 2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene.
What is the SMILES notation for 2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene?
The canonical SMILES for 2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene is CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C.
What is the InChIKey of 2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene?
The InChIKey is FLXPAPNJWCGFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H62/c1-37(2)21-14-25-41(7)29-18-33-43(9)31-16-27-39(5)23-12-13-24-40(6)28-17-32-44(10)35-20-36-45(11)34-19-30-42(8)26-15-22-38(3)4/h12-13,16-24,27-36H,14-15,25-26H2,1-11H3.
What are the key properties of 2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene?
2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene has a molecular weight of 602.99 g/mol, XLogP of 14.44, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene is sourced from PubChem (CID 123174328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).