(4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one

C8H12O2 — CID 132542145

IUPAC(4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one
SMILESCCC1=C[C@H](O)CCC1=O
InChIInChI=1S/C8H12O2/c1-2-6-5-7(9)3-4-8(6)10/h5,7,9H,2-4H2,1H3/t7-/m1/s1
InChIKeyXPMSNKCKSZRCNB-SSDOTTSWSA-N
MW140.18 g/mol
LogP1.05
Rot. Bonds1

About (4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one

(4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one (PubChem CID 132542145) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one
PubChem CID132542145
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one
SMILESCCC1=C[C@H](O)CCC1=O
InChIInChI=1S/C8H12O2/c1-2-6-5-7(9)3-4-8(6)10/h5,7,9H,2-4H2,1H3/t7-/m1/s1
InChIKeyXPMSNKCKSZRCNB-SSDOTTSWSA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 (4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one?
The IUPAC name of (4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one (CID 132542145) is (4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for (4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one?
The canonical SMILES for (4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one is CCC1=C[C@H](O)CCC1=O.
What is the InChIKey of (4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one?
The InChIKey is XPMSNKCKSZRCNB-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-6-5-7(9)3-4-8(6)10/h5,7,9H,2-4H2,1H3/t7-/m1/s1.
What are the key properties of (4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one?
(4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 132542145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).