(2E,4S,5R,6E)-4-ethyl-5-(methoxymethoxy)-2,6-dimethylocta-2,6-dien-1-ol

C14H26O3 — CID 118517718

IUPAC(2E,4S,5R,6E)-4-ethyl-5-(methoxymethoxy)-2,6-dimethylocta-2,6-dien-1-ol
SMILESC/C=C(\C)[C@H](OCOC)[C@H](/C=C(\C)CO)CC
InChIInChI=1S/C14H26O3/c1-6-12(4)14(17-10-16-5)13(7-2)8-11(3)9-15/h6,8,13-15H,7,9-10H2,1-5H3/b11-8+,12-6+/t13-,14-/m0/s1
InChIKeyJPQHTTKWIFCMBE-LEPLWZRDSA-N
MW242.36 g/mol
LogP2.91
Rot. Bonds8

About (2E,4S,5R,6E)-4-ethyl-5-(methoxymethoxy)-2,6-dimethylocta-2,6-dien-1-ol

(2E,4S,5R,6E)-4-ethyl-5-(methoxymethoxy)-2,6-dimethylocta-2,6-dien-1-ol (PubChem CID 118517718) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2E,4S,5R,6E)-4-ethyl-5-(methoxymethoxy)-2,6-dimethylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,4S,5R,6E)-4-ethyl-5-(methoxymethoxy)-2,6-dimethylocta-2,6-dien-1-ol
PubChem CID118517718
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(2E,4S,5R,6E)-4-ethyl-5-(methoxymethoxy)-2,6-dimethylocta-2,6-dien-1-ol
SMILESC/C=C(\C)[C@H](OCOC)[C@H](/C=C(\C)CO)CC
InChIInChI=1S/C14H26O3/c1-6-12(4)14(17-10-16-5)13(7-2)8-11(3)9-15/h6,8,13-15H,7,9-10H2,1-5H3/b11-8+,12-6+/t13-,14-/m0/s1
InChIKeyJPQHTTKWIFCMBE-LEPLWZRDSA-N
XLogP2.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4S,5R,6E)-4-ethyl-5-(methoxymethoxy)-2,6-dimethylocta-2,6-dien-1-ol?
The IUPAC name of (2E,4S,5R,6E)-4-ethyl-5-(methoxymethoxy)-2,6-dimethylocta-2,6-dien-1-ol (CID 118517718) is (2E,4S,5R,6E)-4-ethyl-5-(methoxymethoxy)-2,6-dimethylocta-2,6-dien-1-ol.
What is the SMILES notation for (2E,4S,5R,6E)-4-ethyl-5-(methoxymethoxy)-2,6-dimethylocta-2,6-dien-1-ol?
The canonical SMILES for (2E,4S,5R,6E)-4-ethyl-5-(methoxymethoxy)-2,6-dimethylocta-2,6-dien-1-ol is C/C=C(\C)[C@H](OCOC)[C@H](/C=C(\C)CO)CC.
What is the InChIKey of (2E,4S,5R,6E)-4-ethyl-5-(methoxymethoxy)-2,6-dimethylocta-2,6-dien-1-ol?
The InChIKey is JPQHTTKWIFCMBE-LEPLWZRDSA-N. The full InChI is InChI=1S/C14H26O3/c1-6-12(4)14(17-10-16-5)13(7-2)8-11(3)9-15/h6,8,13-15H,7,9-10H2,1-5H3/b11-8+,12-6+/t13-,14-/m0/s1.
What are the key properties of (2E,4S,5R,6E)-4-ethyl-5-(methoxymethoxy)-2,6-dimethylocta-2,6-dien-1-ol?
(2E,4S,5R,6E)-4-ethyl-5-(methoxymethoxy)-2,6-dimethylocta-2,6-dien-1-ol has a molecular weight of 242.36 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,5R,6E)-4-ethyl-5-(methoxymethoxy)-2,6-dimethylocta-2,6-dien-1-ol is sourced from PubChem (CID 118517718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).