(8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol

C40H60O2 — CID 87151296

IUPAC(8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol
SMILESCC(C)=CCCC(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(O)C(C)(O)CCC=C(C)C
InChIInChI=1S/C40H60O2/c1-32(2)18-13-22-36(7)25-15-27-37(8)26-14-23-34(5)20-11-12-21-35(6)24-16-28-38(9)29-30-39(41)40(10,42)31-17-19-33(3)4/h11-12,14-16,18-21,23-24,26-30,36,39,41-42H,13,17,22,25,31H2,1-10H3/b12-11+,23-14+,24-16+,27-15+,30-29+,34-20+,35-21+,37-26+,38-28+
InChIKeySBNCZYDOSNIOFN-YHMVWPIXSA-N
MW572.92 g/mol
LogP11.18
Rot. Bonds18

About (8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol

(8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol (PubChem CID 87151296) has the molecular formula C40H60O2 and a molecular weight of 572.92 g/mol. Its IUPAC name is (8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol.

Molecular Properties

Compound Name(8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol
PubChem CID87151296
Molecular FormulaC40H60O2
Molecular Weight572.92 g/mol
Exact Mass572.46
IUPAC Name(8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol
SMILESCC(C)=CCCC(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(O)C(C)(O)CCC=C(C)C
InChIInChI=1S/C40H60O2/c1-32(2)18-13-22-36(7)25-15-27-37(8)26-14-23-34(5)20-11-12-21-35(6)24-16-28-38(9)29-30-39(41)40(10,42)31-17-19-33(3)4/h11-12,14-16,18-21,23-24,26-30,36,39,41-42H,13,17,22,25,31H2,1-10H3/b12-11+,23-14+,24-16+,27-15+,30-29+,34-20+,35-21+,37-26+,38-28+
InChIKeySBNCZYDOSNIOFN-YHMVWPIXSA-N
XLogP11.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.92
LogP ≤ 511.18
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 (8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol with MolForge

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Related Compounds

(2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene
CID 98562862
(2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene
CID 15276139
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
(10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene
CID 173080866
(4E,6E,8E,10E,14E,16E,22E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,14,16,22,26,28-nonaene
CID 73437579
2,6,10,14,19,23,27,31-octamethyldotriaconta-8,10,12,14,16,18,20,22,24-nonaene
CID 85447618
(6Z,10E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,18,20,22,24,26,28-nonaene
CID 155926557
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaen-3-ol
CID 90658243
methyl (4Z)-3,7,11-trimethyldodeca-2,4,10-trienoate
CID 86733723
propan-2-yl (4E)-3,7,11-trimethyldodeca-2,4,10-trienoate
CID 86733732
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
(1E)-1-chloro-4,8-dimethylnona-1,7-diene
CID 138971565

Frequently Asked Questions

What is the IUPAC name of (8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol?
The IUPAC name of (8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol (CID 87151296) is (8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol.
What is the SMILES notation for (8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol?
The canonical SMILES for (8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol is CC(C)=CCCC(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(O)C(C)(O)CCC=C(C)C.
What is the InChIKey of (8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol?
The InChIKey is SBNCZYDOSNIOFN-YHMVWPIXSA-N. The full InChI is InChI=1S/C40H60O2/c1-32(2)18-13-22-36(7)25-15-27-37(8)26-14-23-34(5)20-11-12-21-35(6)24-16-28-38(9)29-30-39(41)40(10,42)31-17-19-33(3)4/h11-12,14-16,18-21,23-24,26-30,36,39,41-42H,13,17,22,25,31H2,1-10H3/b12-11+,23-14+,24-16+,27-15+,30-29+,34-20+,35-21+,37-26+,38-28+.
What are the key properties of (8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol?
(8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol has a molecular weight of 572.92 g/mol, XLogP of 11.18, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol is sourced from PubChem (CID 87151296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).