(6E,10R,11S,14S,15R,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,18-diene-2,10,11,14,15,23-hexol

C30H58O6 — CID 146682809

IUPAC(6E,10R,11S,14S,15R,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,18-diene-2,10,11,14,15,23-hexol
SMILESC/C(=C\CC[C@@](C)(O)[C@@H](O)CC[C@H](O)[C@](C)(O)CC/C=C(\C)CCCC(C)(C)O)CCCC(C)(C)O
InChIInChI=1S/C30H58O6/c1-23(13-9-19-27(3,4)33)15-11-21-29(7,35)25(31)17-18-26(32)30(8,36)22-12-16-24(2)14-10-20-28(5,6)34/h15-16,25-26,31-36H,9-14,17-22H2,1-8H3/b23-15+,24-16+/t25-,26-,29+,30+/m0/s1
InChIKeyLVVVRYBRIUFULZ-XHARVQFDSA-N
MW514.79 g/mol
LogP5.33
Rot. Bonds19

About (6E,10R,11S,14S,15R,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,18-diene-2,10,11,14,15,23-hexol

(6E,10R,11S,14S,15R,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,18-diene-2,10,11,14,15,23-hexol (PubChem CID 146682809) has the molecular formula C30H58O6 and a molecular weight of 514.79 g/mol. Its IUPAC name is (6E,10R,11S,14S,15R,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,18-diene-2,10,11,14,15,23-hexol.

Molecular Properties

Compound Name(6E,10R,11S,14S,15R,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,18-diene-2,10,11,14,15,23-hexol
PubChem CID146682809
Molecular FormulaC30H58O6
Molecular Weight514.79 g/mol
Exact Mass514.42
IUPAC Name(6E,10R,11S,14S,15R,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,18-diene-2,10,11,14,15,23-hexol
SMILESC/C(=C\CC[C@@](C)(O)[C@@H](O)CC[C@H](O)[C@](C)(O)CC/C=C(\C)CCCC(C)(C)O)CCCC(C)(C)O
InChIInChI=1S/C30H58O6/c1-23(13-9-19-27(3,4)33)15-11-21-29(7,35)25(31)17-18-26(32)30(8,36)22-12-16-24(2)14-10-20-28(5,6)34/h15-16,25-26,31-36H,9-14,17-22H2,1-8H3/b23-15+,24-16+/t25-,26-,29+,30+/m0/s1
InChIKeyLVVVRYBRIUFULZ-XHARVQFDSA-N
XLogP5.33
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500514.79
LogP ≤ 55.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E,10R,11S,14S,15R,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,18-diene-2,10,11,14,15,23-hexol?
The IUPAC name of (6E,10R,11S,14S,15R,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,18-diene-2,10,11,14,15,23-hexol (CID 146682809) is (6E,10R,11S,14S,15R,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,18-diene-2,10,11,14,15,23-hexol.
What is the SMILES notation for (6E,10R,11S,14S,15R,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,18-diene-2,10,11,14,15,23-hexol?
The canonical SMILES for (6E,10R,11S,14S,15R,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,18-diene-2,10,11,14,15,23-hexol is C/C(=C\CC[C@@](C)(O)[C@@H](O)CC[C@H](O)[C@](C)(O)CC/C=C(\C)CCCC(C)(C)O)CCCC(C)(C)O.
What is the InChIKey of (6E,10R,11S,14S,15R,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,18-diene-2,10,11,14,15,23-hexol?
The InChIKey is LVVVRYBRIUFULZ-XHARVQFDSA-N. The full InChI is InChI=1S/C30H58O6/c1-23(13-9-19-27(3,4)33)15-11-21-29(7,35)25(31)17-18-26(32)30(8,36)22-12-16-24(2)14-10-20-28(5,6)34/h15-16,25-26,31-36H,9-14,17-22H2,1-8H3/b23-15+,24-16+/t25-,26-,29+,30+/m0/s1.
What are the key properties of (6E,10R,11S,14S,15R,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,18-diene-2,10,11,14,15,23-hexol?
(6E,10R,11S,14S,15R,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,18-diene-2,10,11,14,15,23-hexol has a molecular weight of 514.79 g/mol, XLogP of 5.33, 19 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10R,11S,14S,15R,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,18-diene-2,10,11,14,15,23-hexol is sourced from PubChem (CID 146682809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).