(6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol

C50H94O7 — CID 6480645

IUPAC(6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol
SMILESC=CC(C)(O)CC/C=C(\C)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C
InChIInChI=1S/C50H94O7/c1-13-44(6,51)28-16-26-42(4)24-14-25-43(5)27-17-30-46(8,53)32-19-34-48(10,55)36-21-38-50(12,57)40-22-39-49(11,56)37-20-35-47(9,54)33-18-31-45(7,52)29-15-23-41(2)3/h13,23,25-26,51-57H,1,14-22,24,27-40H2,2-12H3/b42-26+,43-25+
InChIKeyPGKWOUQKDDYJEI-AUNPKQNBSA-N
MW807.29 g/mol
LogP11.65
Rot. Bonds34

About (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol

(6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol (PubChem CID 6480645) has the molecular formula C50H94O7 and a molecular weight of 807.29 g/mol. Its IUPAC name is (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol.

Molecular Properties

Compound Name(6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol
PubChem CID6480645
Molecular FormulaC50H94O7
Molecular Weight807.29 g/mol
Exact Mass806.70
IUPAC Name(6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol
SMILESC=CC(C)(O)CC/C=C(\C)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C
InChIInChI=1S/C50H94O7/c1-13-44(6,51)28-16-26-42(4)24-14-25-43(5)27-17-30-46(8,53)32-19-34-48(10,55)36-21-38-50(12,57)40-22-39-49(11,56)37-20-35-47(9,54)33-18-31-45(7,52)29-15-23-41(2)3/h13,23,25-26,51-57H,1,14-22,24,27-40H2,2-12H3/b42-26+,43-25+
InChIKeyPGKWOUQKDDYJEI-AUNPKQNBSA-N
XLogP11.65
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds34
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500807.29
LogP ≤ 511.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol?
The IUPAC name of (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol (CID 6480645) is (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol.
What is the SMILES notation for (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol?
The canonical SMILES for (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol is C=CC(C)(O)CC/C=C(\C)CC/C=C(\C)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,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol?
The InChIKey is PGKWOUQKDDYJEI-AUNPKQNBSA-N. The full InChI is InChI=1S/C50H94O7/c1-13-44(6,51)28-16-26-42(4)24-14-25-43(5)27-17-30-46(8,53)32-19-34-48(10,55)36-21-38-50(12,57)40-22-39-49(11,56)37-20-35-47(9,54)33-18-31-45(7,52)29-15-23-41(2)3/h13,23,25-26,51-57H,1,14-22,24,27-40H2,2-12H3/b42-26+,43-25+.
What are the key properties of (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol?
(6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol has a molecular weight of 807.29 g/mol, XLogP of 11.65, 34 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol is sourced from PubChem (CID 6480645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).