(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol

C39H54O — CID 11993594

IUPAC(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol
SMILESCC(C)=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)CC/C=C(\C)CO
InChIInChI=1S/C39H54O/c1-32(2)29-30-38(8)27-15-25-36(6)22-13-20-34(4)18-11-10-17-33(3)19-12-21-35(5)23-14-24-37(7)26-16-28-39(9)31-40/h10-15,17-25,27-29,40H,16,26,30-31H2,1-9H3/b11-10+,19-12+,20-13+,23-14+,25-15+,33-17+,34-18+,35-21+,36-22+,37-24+,38-27+,39-28+
InChIKeyLNCCVXZCOGEMEN-SJJKFYOOSA-N
MW538.86 g/mol
LogP11.52
Rot. Bonds16

About (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol

(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol (PubChem CID 11993594) has the molecular formula C39H54O and a molecular weight of 538.86 g/mol. Its IUPAC name is (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol.

Molecular Properties

Compound Name(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol
PubChem CID11993594
Molecular FormulaC39H54O
Molecular Weight538.86 g/mol
Exact Mass538.42
IUPAC Name(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol
SMILESCC(C)=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)CC/C=C(\C)CO
InChIInChI=1S/C39H54O/c1-32(2)29-30-38(8)27-15-25-36(6)22-13-20-34(4)18-11-10-17-33(3)19-12-21-35(5)23-14-24-37(7)26-16-28-39(9)31-40/h10-15,17-25,27-29,40H,16,26,30-31H2,1-9H3/b11-10+,19-12+,20-13+,23-14+,25-15+,33-17+,34-18+,35-21+,36-22+,37-24+,38-27+,39-28+
InChIKeyLNCCVXZCOGEMEN-SJJKFYOOSA-N
XLogP11.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.86
LogP ≤ 511.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol with MolForge

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Related Compounds

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
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CID 162947696
(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
2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene
CID 163002608
(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaen-1-ol
CID 24860841
3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene
CID 123202578
(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
(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,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
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CID 134820096

Frequently Asked Questions

What is the IUPAC name of (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol?
The IUPAC name of (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol (CID 11993594) is (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol.
What is the SMILES notation for (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol?
The canonical SMILES for (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol is CC(C)=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)CC/C=C(\C)CO.
What is the InChIKey of (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol?
The InChIKey is LNCCVXZCOGEMEN-SJJKFYOOSA-N. The full InChI is InChI=1S/C39H54O/c1-32(2)29-30-38(8)27-15-25-36(6)22-13-20-34(4)18-11-10-17-33(3)19-12-21-35(5)23-14-24-37(7)26-16-28-39(9)31-40/h10-15,17-25,27-29,40H,16,26,30-31H2,1-9H3/b11-10+,19-12+,20-13+,23-14+,25-15+,33-17+,34-18+,35-21+,36-22+,37-24+,38-27+,39-28+.
What are the key properties of (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol?
(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol has a molecular weight of 538.86 g/mol, XLogP of 11.52, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol is sourced from PubChem (CID 11993594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).