(E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene

C24H48O3 — CID 10572115

IUPAC(E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene
SMILESC/C=C/[C@@H](C)[C@H](OC)[C@H](C)C[C@@H](C)[C@H](OC)[C@H](C)C[C@@H](C)[C@H](OC)C(C)C
InChIInChI=1S/C24H48O3/c1-12-13-17(4)23(26-10)19(6)15-21(8)24(27-11)20(7)14-18(5)22(25-9)16(2)3/h12-13,16-24H,14-15H2,1-11H3/b13-12+/t17-,18-,19-,20-,21-,22-,23+,24-/m1/s1
InChIKeySOKOUHPCZPIGMB-MKVAWZPXSA-N
MW384.65 g/mol
LogP6.22
Rot. Bonds14

About (E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene

(E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene (PubChem CID 10572115) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is (E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene.

Molecular Properties

Compound Name(E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene
PubChem CID10572115
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Name(E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene
SMILESC/C=C/[C@@H](C)[C@H](OC)[C@H](C)C[C@@H](C)[C@H](OC)[C@H](C)C[C@@H](C)[C@H](OC)C(C)C
InChIInChI=1S/C24H48O3/c1-12-13-17(4)23(26-10)19(6)15-21(8)24(27-11)20(7)14-18(5)22(25-9)16(2)3/h12-13,16-24H,14-15H2,1-11H3/b13-12+/t17-,18-,19-,20-,21-,22-,23+,24-/m1/s1
InChIKeySOKOUHPCZPIGMB-MKVAWZPXSA-N
XLogP6.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene?
The IUPAC name of (E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene (CID 10572115) is (E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene.
What is the SMILES notation for (E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene?
The canonical SMILES for (E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene is C/C=C/[C@@H](C)[C@H](OC)[C@H](C)C[C@@H](C)[C@H](OC)[C@H](C)C[C@@H](C)[C@H](OC)C(C)C.
What is the InChIKey of (E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene?
The InChIKey is SOKOUHPCZPIGMB-MKVAWZPXSA-N. The full InChI is InChI=1S/C24H48O3/c1-12-13-17(4)23(26-10)19(6)15-21(8)24(27-11)20(7)14-18(5)22(25-9)16(2)3/h12-13,16-24H,14-15H2,1-11H3/b13-12+/t17-,18-,19-,20-,21-,22-,23+,24-/m1/s1.
What are the key properties of (E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene?
(E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene has a molecular weight of 384.65 g/mol, XLogP of 6.22, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene is sourced from PubChem (CID 10572115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).