2-ethyl-6-(3-propylhex-1-en-2-yloxy)oxan-4-ol

C16H30O3 — CID 166943996

IUPAC2-ethyl-6-(3-propylhex-1-en-2-yloxy)oxan-4-ol
SMILESC=C(OC1CC(O)CC(CC)O1)C(CCC)CCC
InChIInChI=1S/C16H30O3/c1-5-8-13(9-6-2)12(4)18-16-11-14(17)10-15(7-3)19-16/h13-17H,4-11H2,1-3H3
InChIKeySLHIERDOGJKHDW-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.01
Rot. Bonds8

About 2-ethyl-6-(3-propylhex-1-en-2-yloxy)oxan-4-ol

2-ethyl-6-(3-propylhex-1-en-2-yloxy)oxan-4-ol (PubChem CID 166943996) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-ethyl-6-(3-propylhex-1-en-2-yloxy)oxan-4-ol.

Molecular Properties

Compound Name2-ethyl-6-(3-propylhex-1-en-2-yloxy)oxan-4-ol
PubChem CID166943996
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2-ethyl-6-(3-propylhex-1-en-2-yloxy)oxan-4-ol
SMILESC=C(OC1CC(O)CC(CC)O1)C(CCC)CCC
InChIInChI=1S/C16H30O3/c1-5-8-13(9-6-2)12(4)18-16-11-14(17)10-15(7-3)19-16/h13-17H,4-11H2,1-3H3
InChIKeySLHIERDOGJKHDW-UHFFFAOYSA-N
XLogP4.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(3-propylhex-1-en-2-yloxy)oxan-4-ol?
The IUPAC name of 2-ethyl-6-(3-propylhex-1-en-2-yloxy)oxan-4-ol (CID 166943996) is 2-ethyl-6-(3-propylhex-1-en-2-yloxy)oxan-4-ol.
What is the SMILES notation for 2-ethyl-6-(3-propylhex-1-en-2-yloxy)oxan-4-ol?
The canonical SMILES for 2-ethyl-6-(3-propylhex-1-en-2-yloxy)oxan-4-ol is C=C(OC1CC(O)CC(CC)O1)C(CCC)CCC.
What is the InChIKey of 2-ethyl-6-(3-propylhex-1-en-2-yloxy)oxan-4-ol?
The InChIKey is SLHIERDOGJKHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-5-8-13(9-6-2)12(4)18-16-11-14(17)10-15(7-3)19-16/h13-17H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-6-(3-propylhex-1-en-2-yloxy)oxan-4-ol?
2-ethyl-6-(3-propylhex-1-en-2-yloxy)oxan-4-ol has a molecular weight of 270.41 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(3-propylhex-1-en-2-yloxy)oxan-4-ol is sourced from PubChem (CID 166943996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).