(2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol

C50H88O — CID 14380586

About (2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol

(2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol (PubChem CID 14380586) has the molecular formula C50H88O and a molecular weight of 705.25 g/mol. Its IUPAC name is (2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol.

Molecular Properties

• Compound Name: (2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol
• PubChem CID: 14380586
• Molecular Formula: C50H88O
• Molecular Weight: 705.25 g/mol
• Exact Mass: 704.68
• IUPAC Name: (2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol
• SMILES: C/C(=C/CO)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
• InChI: InChI=1S/C50H88O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h27,29,31,33,35,37,39,41-43,51H,12-26,28,30,32,34,36,38,40H2,1-11H3/b44-27+,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-/t42-,43-/m1/s1
• InChIKey: VXLKCFIDVJZHGS-KACQORBASA-N
• XLogP: 16.72
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 31
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.25
LogP ≤ 5	16.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol?

The IUPAC name of (2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol (CID 14380586) is (2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol.

What is the SMILES notation for (2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol?

The canonical SMILES for (2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol is C/C(=C/CO)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.

What is the InChIKey of (2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol?

The InChIKey is VXLKCFIDVJZHGS-KACQORBASA-N. The full InChI is InChI=1S/C50H88O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h27,29,31,33,35,37,39,41-43,51H,12-26,28,30,32,34,36,38,40H2,1-11H3/b44-27+,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-/t42-,43-/m1/s1.

What are the key properties of (2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol?

(2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol has a molecular weight of 705.25 g/mol, XLogP of 16.72, 31 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol is sourced from PubChem (CID 14380586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).