(6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol

C30H52O4 — CID 122182476

IUPAC(6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol
SMILESC/C(=C\CC/C=C(\C)CC/C=C(\C)CCC(O)C(C)(C)O)C/C=C/[C@@]1(C)CC[C@@H](C(C)(C)O)O1
InChIInChI=1S/C30H52O4/c1-23(15-11-16-25(3)18-19-26(31)28(4,5)32)13-9-10-14-24(2)17-12-21-30(8)22-20-27(34-30)29(6,7)33/h12-14,16,21,26-27,31-33H,9-11,15,17-20,22H2,1-8H3/b21-12+,23-13+,24-14+,25-16+/t26?,27-,30-/m0/s1
InChIKeyTZNGZNFIMYBBEC-MKBBOFQQSA-N
MW476.74 g/mol
LogP6.95
Rot. Bonds14

About (6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol

(6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol (PubChem CID 122182476) has the molecular formula C30H52O4 and a molecular weight of 476.74 g/mol. Its IUPAC name is (6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol.

Molecular Properties

Compound Name(6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol
PubChem CID122182476
Molecular FormulaC30H52O4
Molecular Weight476.74 g/mol
Exact Mass476.39
IUPAC Name(6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol
SMILESC/C(=C\CC/C=C(\C)CC/C=C(\C)CCC(O)C(C)(C)O)C/C=C/[C@@]1(C)CC[C@@H](C(C)(C)O)O1
InChIInChI=1S/C30H52O4/c1-23(15-11-16-25(3)18-19-26(31)28(4,5)32)13-9-10-14-24(2)17-12-21-30(8)22-20-27(34-30)29(6,7)33/h12-14,16,21,26-27,31-33H,9-11,15,17-20,22H2,1-8H3/b21-12+,23-13+,24-14+,25-16+/t26?,27-,30-/m0/s1
InChIKeyTZNGZNFIMYBBEC-MKBBOFQQSA-N
XLogP6.95
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.74
LogP ≤ 56.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol?
The IUPAC name of (6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol (CID 122182476) is (6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol.
What is the SMILES notation for (6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol?
The canonical SMILES for (6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol is C/C(=C\CC/C=C(\C)CC/C=C(\C)CCC(O)C(C)(C)O)C/C=C/[C@@]1(C)CC[C@@H](C(C)(C)O)O1.
What is the InChIKey of (6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol?
The InChIKey is TZNGZNFIMYBBEC-MKBBOFQQSA-N. The full InChI is InChI=1S/C30H52O4/c1-23(15-11-16-25(3)18-19-26(31)28(4,5)32)13-9-10-14-24(2)17-12-21-30(8)22-20-27(34-30)29(6,7)33/h12-14,16,21,26-27,31-33H,9-11,15,17-20,22H2,1-8H3/b21-12+,23-13+,24-14+,25-16+/t26?,27-,30-/m0/s1.
What are the key properties of (6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol?
(6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol has a molecular weight of 476.74 g/mol, XLogP of 6.95, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol is sourced from PubChem (CID 122182476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).