methane;(2R)-pent-3-yn-2-ol;pent-3-yn-2-ol;pent-3-yn-2-yloxyphosphane

C16H29O3P — CID 159561203

IUPACmethane;(2R)-pent-3-yn-2-ol;pent-3-yn-2-ol;pent-3-yn-2-yloxyphosphane
SMILESC.CC#CC(C)O.CC#CC(C)OP.CC#C[C@@H](C)O
InChIInChI=1S/C5H9OP.2C5H8O.CH4/c1-3-4-5(2)6-7;2*1-3-4-5(2)6;/h5H,7H2,1-2H3;2*5-6H,1-2H3;1H4/t;5-;;/m.1../s1
InChIKeyMGQMFBDRUCRUHG-YEAWCGRSSA-N
MW300.38 g/mol
LogP2.62
Rot. Bonds1

About methane;(2R)-pent-3-yn-2-ol;pent-3-yn-2-ol;pent-3-yn-2-yloxyphosphane

methane;(2R)-pent-3-yn-2-ol;pent-3-yn-2-ol;pent-3-yn-2-yloxyphosphane (PubChem CID 159561203) has the molecular formula C16H29O3P and a molecular weight of 300.38 g/mol. Its IUPAC name is methane;(2R)-pent-3-yn-2-ol;pent-3-yn-2-ol;pent-3-yn-2-yloxyphosphane.

Molecular Properties

Compound Namemethane;(2R)-pent-3-yn-2-ol;pent-3-yn-2-ol;pent-3-yn-2-yloxyphosphane
PubChem CID159561203
Molecular FormulaC16H29O3P
Molecular Weight300.38 g/mol
Exact Mass300.19
IUPAC Namemethane;(2R)-pent-3-yn-2-ol;pent-3-yn-2-ol;pent-3-yn-2-yloxyphosphane
SMILESC.CC#CC(C)O.CC#CC(C)OP.CC#C[C@@H](C)O
InChIInChI=1S/C5H9OP.2C5H8O.CH4/c1-3-4-5(2)6-7;2*1-3-4-5(2)6;/h5H,7H2,1-2H3;2*5-6H,1-2H3;1H4/t;5-;;/m.1../s1
InChIKeyMGQMFBDRUCRUHG-YEAWCGRSSA-N
XLogP2.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;(2R)-pent-3-yn-2-ol;pent-3-yn-2-ol;pent-3-yn-2-yloxyphosphane?
The IUPAC name of methane;(2R)-pent-3-yn-2-ol;pent-3-yn-2-ol;pent-3-yn-2-yloxyphosphane (CID 159561203) is methane;(2R)-pent-3-yn-2-ol;pent-3-yn-2-ol;pent-3-yn-2-yloxyphosphane.
What is the SMILES notation for methane;(2R)-pent-3-yn-2-ol;pent-3-yn-2-ol;pent-3-yn-2-yloxyphosphane?
The canonical SMILES for methane;(2R)-pent-3-yn-2-ol;pent-3-yn-2-ol;pent-3-yn-2-yloxyphosphane is C.CC#CC(C)O.CC#CC(C)OP.CC#C[C@@H](C)O.
What is the InChIKey of methane;(2R)-pent-3-yn-2-ol;pent-3-yn-2-ol;pent-3-yn-2-yloxyphosphane?
The InChIKey is MGQMFBDRUCRUHG-YEAWCGRSSA-N. The full InChI is InChI=1S/C5H9OP.2C5H8O.CH4/c1-3-4-5(2)6-7;2*1-3-4-5(2)6;/h5H,7H2,1-2H3;2*5-6H,1-2H3;1H4/t;5-;;/m.1../s1.
What are the key properties of methane;(2R)-pent-3-yn-2-ol;pent-3-yn-2-ol;pent-3-yn-2-yloxyphosphane?
methane;(2R)-pent-3-yn-2-ol;pent-3-yn-2-ol;pent-3-yn-2-yloxyphosphane has a molecular weight of 300.38 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2R)-pent-3-yn-2-ol;pent-3-yn-2-ol;pent-3-yn-2-yloxyphosphane is sourced from PubChem (CID 159561203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).