(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaene-2,3-diol

C30H52O2 — CID 56845257

IUPAC(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaene-2,3-diol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC(O)C(C)(C)O
InChIInChI=1S/C30H52O2/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29(31)30(7,8)32/h14-16,20-21,29,31-32H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+
InChIKeyGRPNWQFOKYUABH-BANQPHDMSA-N
MW444.74 g/mol
LogP8.77
Rot. Bonds16

About (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaene-2,3-diol

(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaene-2,3-diol (PubChem CID 56845257) has the molecular formula C30H52O2 and a molecular weight of 444.74 g/mol. Its IUPAC name is (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaene-2,3-diol.

Molecular Properties

Compound Name(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaene-2,3-diol
PubChem CID56845257
Molecular FormulaC30H52O2
Molecular Weight444.74 g/mol
Exact Mass444.40
IUPAC Name(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaene-2,3-diol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC(O)C(C)(C)O
InChIInChI=1S/C30H52O2/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29(31)30(7,8)32/h14-16,20-21,29,31-32H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+
InChIKeyGRPNWQFOKYUABH-BANQPHDMSA-N
XLogP8.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.74
LogP ≤ 58.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaene-2,3-diol?
The IUPAC name of (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaene-2,3-diol (CID 56845257) is (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaene-2,3-diol.
What is the SMILES notation for (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaene-2,3-diol?
The canonical SMILES for (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaene-2,3-diol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC(O)C(C)(C)O.
What is the InChIKey of (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaene-2,3-diol?
The InChIKey is GRPNWQFOKYUABH-BANQPHDMSA-N. The full InChI is InChI=1S/C30H52O2/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29(31)30(7,8)32/h14-16,20-21,29,31-32H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+.
What are the key properties of (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaene-2,3-diol?
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaene-2,3-diol has a molecular weight of 444.74 g/mol, XLogP of 8.77, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaene-2,3-diol is sourced from PubChem (CID 56845257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).