(3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate

C10H19O6P — CID 170161205

IUPAC(3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC(C)C(CC)(CC)OP(=O)(O)O
InChIInChI=1S/C10H19O6P/c1-5-9(11)15-8(4)10(6-2,7-3)16-17(12,13)14/h5,8H,1,6-7H2,2-4H3,(H2,12,13,14)
InChIKeyIIUFCSZUDQMFRF-UHFFFAOYSA-N
MW266.23 g/mol
LogP1.77
Rot. Bonds7

About (3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate

(3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate (PubChem CID 170161205) has the molecular formula C10H19O6P and a molecular weight of 266.23 g/mol. Its IUPAC name is (3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate
PubChem CID170161205
Molecular FormulaC10H19O6P
Molecular Weight266.23 g/mol
Exact Mass266.09
IUPAC Name(3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC(C)C(CC)(CC)OP(=O)(O)O
InChIInChI=1S/C10H19O6P/c1-5-9(11)15-8(4)10(6-2,7-3)16-17(12,13)14/h5,8H,1,6-7H2,2-4H3,(H2,12,13,14)
InChIKeyIIUFCSZUDQMFRF-UHFFFAOYSA-N
XLogP1.77
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,4,4-tetrafluorohexan-2-yl prop-2-enoate
CID 141398863
CID 172734708
CID 172734708
(2-ethyl-1-hydroxy-2-methylbutyl) prop-2-enoate
CID 154606970
(3-methyl-3-prop-2-enoyloxybutan-2-yl) prop-2-enoate;propyl prop-2-enoate
CID 159133201
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
disodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate
CID 174879383
12-phosphonooxydodecan-2-yl prop-2-enoate
CID 141003754
2,2-bis(1-prop-2-enoyloxyethyl)octanoic acid
CID 174919963
3,4-diethylhexan-3-yl prop-2-enoate
CID 175395988
(2,2-dimethyl-3-prop-2-enoyloxybutyl) prop-2-enoate
CID 161076585
1-(2,2-dimethylpropylamino)ethyl prop-2-enoate
CID 22901740
ethyl dihydrogen phosphate;methyl prop-2-enoate
CID 158276127

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate?
The IUPAC name of (3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate (CID 170161205) is (3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate.
What is the SMILES notation for (3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate?
The canonical SMILES for (3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate is C=CC(=O)OC(C)C(CC)(CC)OP(=O)(O)O.
What is the InChIKey of (3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate?
The InChIKey is IIUFCSZUDQMFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O6P/c1-5-9(11)15-8(4)10(6-2,7-3)16-17(12,13)14/h5,8H,1,6-7H2,2-4H3,(H2,12,13,14).
What are the key properties of (3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate?
(3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate has a molecular weight of 266.23 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate is sourced from PubChem (CID 170161205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).