(2R,6R)-2-ethenyl-6-pent-4-enyloxane

C12H20O — CID 102357880

IUPAC(2R,6R)-2-ethenyl-6-pent-4-enyloxane
SMILESC=CCCC[C@@H]1CCC[C@H](C=C)O1
InChIInChI=1S/C12H20O/c1-3-5-6-8-12-10-7-9-11(4-2)13-12/h3-4,11-12H,1-2,5-10H2/t11-,12+/m0/s1
InChIKeyWVWFOOUELVGLAU-NWDGAFQWSA-N
MW180.29 g/mol
LogP3.47
Rot. Bonds5

About (2R,6R)-2-ethenyl-6-pent-4-enyloxane

(2R,6R)-2-ethenyl-6-pent-4-enyloxane (PubChem CID 102357880) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2R,6R)-2-ethenyl-6-pent-4-enyloxane.

Molecular Properties

Compound Name(2R,6R)-2-ethenyl-6-pent-4-enyloxane
PubChem CID102357880
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2R,6R)-2-ethenyl-6-pent-4-enyloxane
SMILESC=CCCC[C@@H]1CCC[C@H](C=C)O1
InChIInChI=1S/C12H20O/c1-3-5-6-8-12-10-7-9-11(4-2)13-12/h3-4,11-12H,1-2,5-10H2/t11-,12+/m0/s1
InChIKeyWVWFOOUELVGLAU-NWDGAFQWSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-ethenyl-6-pent-4-enyloxane?
The IUPAC name of (2R,6R)-2-ethenyl-6-pent-4-enyloxane (CID 102357880) is (2R,6R)-2-ethenyl-6-pent-4-enyloxane.
What is the SMILES notation for (2R,6R)-2-ethenyl-6-pent-4-enyloxane?
The canonical SMILES for (2R,6R)-2-ethenyl-6-pent-4-enyloxane is C=CCCC[C@@H]1CCC[C@H](C=C)O1.
What is the InChIKey of (2R,6R)-2-ethenyl-6-pent-4-enyloxane?
The InChIKey is WVWFOOUELVGLAU-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H20O/c1-3-5-6-8-12-10-7-9-11(4-2)13-12/h3-4,11-12H,1-2,5-10H2/t11-,12+/m0/s1.
What are the key properties of (2R,6R)-2-ethenyl-6-pent-4-enyloxane?
(2R,6R)-2-ethenyl-6-pent-4-enyloxane has a molecular weight of 180.29 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-ethenyl-6-pent-4-enyloxane is sourced from PubChem (CID 102357880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).