(4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one

C7H11OP — CID 126757319

IUPAC(4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one
SMILESC[C@@H]1C=CC(=O)[C@@H](P)C1
InChIInChI=1S/C7H11OP/c1-5-2-3-6(8)7(9)4-5/h2-3,5,7H,4,9H2,1H3/t5-,7+/m1/s1
InChIKeyZPGUOOFVKQRFKY-VDTYLAMSSA-N
MW142.14 g/mol
LogP1.40
Rot. Bonds

About (4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one

(4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one (PubChem CID 126757319) has the molecular formula C7H11OP and a molecular weight of 142.14 g/mol. Its IUPAC name is (4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one
PubChem CID126757319
Molecular FormulaC7H11OP
Molecular Weight142.14 g/mol
Exact Mass142.05
IUPAC Name(4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one
SMILESC[C@@H]1C=CC(=O)[C@@H](P)C1
InChIInChI=1S/C7H11OP/c1-5-2-3-6(8)7(9)4-5/h2-3,5,7H,4,9H2,1H3/t5-,7+/m1/s1
InChIKeyZPGUOOFVKQRFKY-VDTYLAMSSA-N
XLogP1.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.14
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one?
The IUPAC name of (4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one (CID 126757319) is (4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one.
What is the SMILES notation for (4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one?
The canonical SMILES for (4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one is C[C@@H]1C=CC(=O)[C@@H](P)C1.
What is the InChIKey of (4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one?
The InChIKey is ZPGUOOFVKQRFKY-VDTYLAMSSA-N. The full InChI is InChI=1S/C7H11OP/c1-5-2-3-6(8)7(9)4-5/h2-3,5,7H,4,9H2,1H3/t5-,7+/m1/s1.
What are the key properties of (4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one?
(4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one has a molecular weight of 142.14 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one is sourced from PubChem (CID 126757319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).