1-methoxybut-3-yn-2-ylphosphane

C5H9OP — CID 123631279

IUPAC1-methoxybut-3-yn-2-ylphosphane
SMILESC#CC(P)COC
InChIInChI=1S/C5H9OP/c1-3-5(7)4-6-2/h1,5H,4,7H2,2H3
InChIKeyIFNBLKWDCVRRCU-UHFFFAOYSA-N
MW116.10 g/mol
LogP0.51
Rot. Bonds2

About 1-methoxybut-3-yn-2-ylphosphane

1-methoxybut-3-yn-2-ylphosphane (PubChem CID 123631279) has the molecular formula C5H9OP and a molecular weight of 116.10 g/mol. Its IUPAC name is 1-methoxybut-3-yn-2-ylphosphane.

Molecular Properties

Compound Name1-methoxybut-3-yn-2-ylphosphane
PubChem CID123631279
Molecular FormulaC5H9OP
Molecular Weight116.10 g/mol
Exact Mass116.04
IUPAC Name1-methoxybut-3-yn-2-ylphosphane
SMILESC#CC(P)COC
InChIInChI=1S/C5H9OP/c1-3-5(7)4-6-2/h1,5H,4,7H2,2H3
InChIKeyIFNBLKWDCVRRCU-UHFFFAOYSA-N
XLogP0.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.10
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 59269731
CID 59269731
1-methoxypropan-2-amine;prop-2-yn-1-ol
CID 145189711
(2R,3S)-1,3,5-trimethoxyhept-6-yn-2-ol
CID 163702380
(2R,4R)-1,2,3,4,5-pentamethoxypentane
CID 90327969
3-(but-3-yn-2-ylamino)-4-methoxybutan-1-ol
CID 106159690
(2S)-1-methoxy-N-(2-methylpropyl)but-3-yn-2-amine
CID 167274032
1,3,5-trimethoxypentane-2,4-diamine
CID 88989163
1-methoxy-2-methylpropane;molecular hydrogen;penta-1,3-diyne;hydrate
CID 157264678
(2S)-2,3-dimethoxypropanenitrile
CID 92976102
1-(dimethoxymethoxy)-1,2-dimethoxyethane
CID 154193438
N-ethyl-6-methoxy-5-methylhex-1-yn-3-amine
CID 105158261
1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine
CID 177367561

Frequently Asked Questions

What is the IUPAC name of 1-methoxybut-3-yn-2-ylphosphane?
The IUPAC name of 1-methoxybut-3-yn-2-ylphosphane (CID 123631279) is 1-methoxybut-3-yn-2-ylphosphane.
What is the SMILES notation for 1-methoxybut-3-yn-2-ylphosphane?
The canonical SMILES for 1-methoxybut-3-yn-2-ylphosphane is C#CC(P)COC.
What is the InChIKey of 1-methoxybut-3-yn-2-ylphosphane?
The InChIKey is IFNBLKWDCVRRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9OP/c1-3-5(7)4-6-2/h1,5H,4,7H2,2H3.
What are the key properties of 1-methoxybut-3-yn-2-ylphosphane?
1-methoxybut-3-yn-2-ylphosphane has a molecular weight of 116.10 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybut-3-yn-2-ylphosphane is sourced from PubChem (CID 123631279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).