(2Z,4R)-4-hydroxycyclooct-2-en-1-one

C8H12O2 — CID 101414098

IUPAC(2Z,4R)-4-hydroxycyclooct-2-en-1-one
SMILESO=C1/C=C\[C@H](O)CCCC1
InChIInChI=1S/C8H12O2/c9-7-3-1-2-4-8(10)6-5-7/h5-7,9H,1-4H2/b6-5-/t7-/m1/s1
InChIKeyXGSAMFHZWLJEOH-KXTMECRCSA-N
MW140.18 g/mol
LogP1.05
Rot. Bonds

About (2Z,4R)-4-hydroxycyclooct-2-en-1-one

(2Z,4R)-4-hydroxycyclooct-2-en-1-one (PubChem CID 101414098) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (2Z,4R)-4-hydroxycyclooct-2-en-1-one.

Molecular Properties

Compound Name(2Z,4R)-4-hydroxycyclooct-2-en-1-one
PubChem CID101414098
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(2Z,4R)-4-hydroxycyclooct-2-en-1-one
SMILESO=C1/C=C\[C@H](O)CCCC1
InChIInChI=1S/C8H12O2/c9-7-3-1-2-4-8(10)6-5-7/h5-7,9H,1-4H2/b6-5-/t7-/m1/s1
InChIKeyXGSAMFHZWLJEOH-KXTMECRCSA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z,4R)-4-hydroxycyclooct-2-en-1-one?
The IUPAC name of (2Z,4R)-4-hydroxycyclooct-2-en-1-one (CID 101414098) is (2Z,4R)-4-hydroxycyclooct-2-en-1-one.
What is the SMILES notation for (2Z,4R)-4-hydroxycyclooct-2-en-1-one?
The canonical SMILES for (2Z,4R)-4-hydroxycyclooct-2-en-1-one is O=C1/C=C\[C@H](O)CCCC1.
What is the InChIKey of (2Z,4R)-4-hydroxycyclooct-2-en-1-one?
The InChIKey is XGSAMFHZWLJEOH-KXTMECRCSA-N. The full InChI is InChI=1S/C8H12O2/c9-7-3-1-2-4-8(10)6-5-7/h5-7,9H,1-4H2/b6-5-/t7-/m1/s1.
What are the key properties of (2Z,4R)-4-hydroxycyclooct-2-en-1-one?
(2Z,4R)-4-hydroxycyclooct-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4R)-4-hydroxycyclooct-2-en-1-one is sourced from PubChem (CID 101414098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).