4-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-ol

C14H28O3 — CID 23341452

IUPAC4-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-ol
SMILESCCOC(C)OC(CC=C(C)C)C(C)CCO
InChIInChI=1S/C14H28O3/c1-6-16-13(5)17-14(8-7-11(2)3)12(4)9-10-15/h7,12-15H,6,8-10H2,1-5H3
InChIKeyHSQKHBHEGWGKGL-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.13
Rot. Bonds9

About 4-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-ol

4-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-ol (PubChem CID 23341452) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 4-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-ol.

Molecular Properties

Compound Name4-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-ol
PubChem CID23341452
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name4-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-ol
SMILESCCOC(C)OC(CC=C(C)C)C(C)CCO
InChIInChI=1S/C14H28O3/c1-6-16-13(5)17-14(8-7-11(2)3)12(4)9-10-15/h7,12-15H,6,8-10H2,1-5H3
InChIKeyHSQKHBHEGWGKGL-UHFFFAOYSA-N
XLogP3.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.13
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 4-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-ol?
The IUPAC name of 4-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-ol (CID 23341452) is 4-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-ol.
What is the SMILES notation for 4-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-ol?
The canonical SMILES for 4-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-ol is CCOC(C)OC(CC=C(C)C)C(C)CCO.
What is the InChIKey of 4-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-ol?
The InChIKey is HSQKHBHEGWGKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-6-16-13(5)17-14(8-7-11(2)3)12(4)9-10-15/h7,12-15H,6,8-10H2,1-5H3.
What are the key properties of 4-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-ol?
4-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-ol has a molecular weight of 244.37 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-ol is sourced from PubChem (CID 23341452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).