(4Z,8R)-8-phenoxycyclooct-4-en-1-one

C14H16O2 — CID 59056022

IUPAC(4Z,8R)-8-phenoxycyclooct-4-en-1-one
SMILESO=C1CC/C=C\CC[C@H]1Oc1ccccc1
InChIInChI=1S/C14H16O2/c15-13-10-6-1-2-7-11-14(13)16-12-8-4-3-5-9-12/h1-5,8-9,14H,6-7,10-11H2/b2-1-/t14-/m1/s1
InChIKeyBPTLQZPUFNKIHC-DDGIKZQJSA-N
MW216.28 g/mol
LogP3.13
Rot. Bonds2

About (4Z,8R)-8-phenoxycyclooct-4-en-1-one

(4Z,8R)-8-phenoxycyclooct-4-en-1-one (PubChem CID 59056022) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (4Z,8R)-8-phenoxycyclooct-4-en-1-one.

Molecular Properties

Compound Name(4Z,8R)-8-phenoxycyclooct-4-en-1-one
PubChem CID59056022
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(4Z,8R)-8-phenoxycyclooct-4-en-1-one
SMILESO=C1CC/C=C\CC[C@H]1Oc1ccccc1
InChIInChI=1S/C14H16O2/c15-13-10-6-1-2-7-11-14(13)16-12-8-4-3-5-9-12/h1-5,8-9,14H,6-7,10-11H2/b2-1-/t14-/m1/s1
InChIKeyBPTLQZPUFNKIHC-DDGIKZQJSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,8R)-8-phenoxycyclooct-4-en-1-one?
The IUPAC name of (4Z,8R)-8-phenoxycyclooct-4-en-1-one (CID 59056022) is (4Z,8R)-8-phenoxycyclooct-4-en-1-one.
What is the SMILES notation for (4Z,8R)-8-phenoxycyclooct-4-en-1-one?
The canonical SMILES for (4Z,8R)-8-phenoxycyclooct-4-en-1-one is O=C1CC/C=C\CC[C@H]1Oc1ccccc1.
What is the InChIKey of (4Z,8R)-8-phenoxycyclooct-4-en-1-one?
The InChIKey is BPTLQZPUFNKIHC-DDGIKZQJSA-N. The full InChI is InChI=1S/C14H16O2/c15-13-10-6-1-2-7-11-14(13)16-12-8-4-3-5-9-12/h1-5,8-9,14H,6-7,10-11H2/b2-1-/t14-/m1/s1.
What are the key properties of (4Z,8R)-8-phenoxycyclooct-4-en-1-one?
(4Z,8R)-8-phenoxycyclooct-4-en-1-one has a molecular weight of 216.28 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8R)-8-phenoxycyclooct-4-en-1-one is sourced from PubChem (CID 59056022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).