(Z)-8-[(2R)-oxiran-2-yl]oct-7-en-2-one

C10H16O2 — CID 135073202

IUPAC(Z)-8-[(2R)-oxiran-2-yl]oct-7-en-2-one
SMILESCC(=O)CCCC/C=C\[C@@H]1CO1
InChIInChI=1S/C10H16O2/c1-9(11)6-4-2-3-5-7-10-8-12-10/h5,7,10H,2-4,6,8H2,1H3/b7-5-/t10-/m1/s1
InChIKeyUFHGPYWZJBNGLG-ONRRBMGISA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds6

About (Z)-8-[(2R)-oxiran-2-yl]oct-7-en-2-one

(Z)-8-[(2R)-oxiran-2-yl]oct-7-en-2-one (PubChem CID 135073202) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (Z)-8-[(2R)-oxiran-2-yl]oct-7-en-2-one.

Molecular Properties

Compound Name(Z)-8-[(2R)-oxiran-2-yl]oct-7-en-2-one
PubChem CID135073202
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(Z)-8-[(2R)-oxiran-2-yl]oct-7-en-2-one
SMILESCC(=O)CCCC/C=C\[C@@H]1CO1
InChIInChI=1S/C10H16O2/c1-9(11)6-4-2-3-5-7-10-8-12-10/h5,7,10H,2-4,6,8H2,1H3/b7-5-/t10-/m1/s1
InChIKeyUFHGPYWZJBNGLG-ONRRBMGISA-N
XLogP2.09
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-8-[(2R)-oxiran-2-yl]oct-7-en-2-one?
The IUPAC name of (Z)-8-[(2R)-oxiran-2-yl]oct-7-en-2-one (CID 135073202) is (Z)-8-[(2R)-oxiran-2-yl]oct-7-en-2-one.
What is the SMILES notation for (Z)-8-[(2R)-oxiran-2-yl]oct-7-en-2-one?
The canonical SMILES for (Z)-8-[(2R)-oxiran-2-yl]oct-7-en-2-one is CC(=O)CCCC/C=C\[C@@H]1CO1.
What is the InChIKey of (Z)-8-[(2R)-oxiran-2-yl]oct-7-en-2-one?
The InChIKey is UFHGPYWZJBNGLG-ONRRBMGISA-N. The full InChI is InChI=1S/C10H16O2/c1-9(11)6-4-2-3-5-7-10-8-12-10/h5,7,10H,2-4,6,8H2,1H3/b7-5-/t10-/m1/s1.
What are the key properties of (Z)-8-[(2R)-oxiran-2-yl]oct-7-en-2-one?
(Z)-8-[(2R)-oxiran-2-yl]oct-7-en-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-[(2R)-oxiran-2-yl]oct-7-en-2-one is sourced from PubChem (CID 135073202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).