(3S)-2-ethyl-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol

C8H17O3P — CID 23620614

IUPAC(3S)-2-ethyl-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol
SMILESCCP1(=O)OC(C)(C)C[C@@]1(C)O
InChIInChI=1S/C8H17O3P/c1-5-12(10)8(4,9)6-7(2,3)11-12/h9H,5-6H2,1-4H3/t8-,12?/m0/s1
InChIKeyOWSLIKTYMPKFHD-KBPLZSHQSA-N
MW192.19 g/mol
LogP2.19
Rot. Bonds1

About (3S)-2-ethyl-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol

(3S)-2-ethyl-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol (PubChem CID 23620614) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is (3S)-2-ethyl-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol.

Molecular Properties

Compound Name(3S)-2-ethyl-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol
PubChem CID23620614
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name(3S)-2-ethyl-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol
SMILESCCP1(=O)OC(C)(C)C[C@@]1(C)O
InChIInChI=1S/C8H17O3P/c1-5-12(10)8(4,9)6-7(2,3)11-12/h9H,5-6H2,1-4H3/t8-,12?/m0/s1
InChIKeyOWSLIKTYMPKFHD-KBPLZSHQSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-ethyl-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol?
The IUPAC name of (3S)-2-ethyl-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol (CID 23620614) is (3S)-2-ethyl-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol.
What is the SMILES notation for (3S)-2-ethyl-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol?
The canonical SMILES for (3S)-2-ethyl-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol is CCP1(=O)OC(C)(C)C[C@@]1(C)O.
What is the InChIKey of (3S)-2-ethyl-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol?
The InChIKey is OWSLIKTYMPKFHD-KBPLZSHQSA-N. The full InChI is InChI=1S/C8H17O3P/c1-5-12(10)8(4,9)6-7(2,3)11-12/h9H,5-6H2,1-4H3/t8-,12?/m0/s1.
What are the key properties of (3S)-2-ethyl-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol?
(3S)-2-ethyl-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol has a molecular weight of 192.19 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-ethyl-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol is sourced from PubChem (CID 23620614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).