(6E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-triene-3,11,15,19,23,27,31,35,39,43-decol

C60H116O10 — CID 6480648

IUPAC(6E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-triene-3,11,15,19,23,27,31,35,39,43-decol
SMILESC=CC(C)(O)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C
InChIInChI=1S/C60H116O10/c1-15-51(5,61)30-17-28-50(4)29-18-32-53(7,63)34-20-36-55(9,65)38-22-40-57(11,67)42-24-44-59(13,69)46-26-48-60(14,70)47-25-45-58(12,68)43-23-41-56(10,66)39-21-37-54(8,64)35-19-33-52(6,62)31-16-27-49(2)3/h15,27-28,61-70H,1,16-26,29-48H2,2-14H3/b50-28+
InChIKeyUOLQNQFKWOZVQC-JKFXLZRDSA-N
MW997.58 g/mol
LogP12.69
Rot. Bonds43

About (6E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-triene-3,11,15,19,23,27,31,35,39,43-decol

(6E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-triene-3,11,15,19,23,27,31,35,39,43-decol (PubChem CID 6480648) has the molecular formula C60H116O10 and a molecular weight of 997.58 g/mol. Its IUPAC name is (6E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-triene-3,11,15,19,23,27,31,35,39,43-decol.

Molecular Properties

Compound Name(6E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-triene-3,11,15,19,23,27,31,35,39,43-decol
PubChem CID6480648
Molecular FormulaC60H116O10
Molecular Weight997.58 g/mol
Exact Mass996.86
IUPAC Name(6E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-triene-3,11,15,19,23,27,31,35,39,43-decol
SMILESC=CC(C)(O)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C
InChIInChI=1S/C60H116O10/c1-15-51(5,61)30-17-28-50(4)29-18-32-53(7,63)34-20-36-55(9,65)38-22-40-57(11,67)42-24-44-59(13,69)46-26-48-60(14,70)47-25-45-58(12,68)43-23-41-56(10,66)39-21-37-54(8,64)35-19-33-52(6,62)31-16-27-49(2)3/h15,27-28,61-70H,1,16-26,29-48H2,2-14H3/b50-28+
InChIKeyUOLQNQFKWOZVQC-JKFXLZRDSA-N
XLogP12.69
TPSA202.30 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds43
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500997.58
LogP ≤ 512.69
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (6E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-triene-3,11,15,19,23,27,31,35,39,43-decol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-triene-3,11,15,19,23,27,31,35,39,43-decol?
The IUPAC name of (6E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-triene-3,11,15,19,23,27,31,35,39,43-decol (CID 6480648) is (6E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-triene-3,11,15,19,23,27,31,35,39,43-decol.
What is the SMILES notation for (6E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-triene-3,11,15,19,23,27,31,35,39,43-decol?
The canonical SMILES for (6E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-triene-3,11,15,19,23,27,31,35,39,43-decol is C=CC(C)(O)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C.
What is the InChIKey of (6E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-triene-3,11,15,19,23,27,31,35,39,43-decol?
The InChIKey is UOLQNQFKWOZVQC-JKFXLZRDSA-N. The full InChI is InChI=1S/C60H116O10/c1-15-51(5,61)30-17-28-50(4)29-18-32-53(7,63)34-20-36-55(9,65)38-22-40-57(11,67)42-24-44-59(13,69)46-26-48-60(14,70)47-25-45-58(12,68)43-23-41-56(10,66)39-21-37-54(8,64)35-19-33-52(6,62)31-16-27-49(2)3/h15,27-28,61-70H,1,16-26,29-48H2,2-14H3/b50-28+.
What are the key properties of (6E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-triene-3,11,15,19,23,27,31,35,39,43-decol?
(6E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-triene-3,11,15,19,23,27,31,35,39,43-decol has a molecular weight of 997.58 g/mol, XLogP of 12.69, 43 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-triene-3,11,15,19,23,27,31,35,39,43-decol is sourced from PubChem (CID 6480648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).