but-3-enyl(dimethoxy)phosphane

C6H13O2P — CID 13144872

IUPACbut-3-enyl(dimethoxy)phosphane
SMILESC=CCCP(OC)OC
InChIInChI=1S/C6H13O2P/c1-4-5-6-9(7-2)8-3/h4H,1,5-6H2,2-3H3
InChIKeySNZYZTNYQOJOJM-UHFFFAOYSA-N
MW148.14 g/mol
LogP2.17
Rot. Bonds5

About but-3-enyl(dimethoxy)phosphane

but-3-enyl(dimethoxy)phosphane (PubChem CID 13144872) has the molecular formula C6H13O2P and a molecular weight of 148.14 g/mol. Its IUPAC name is but-3-enyl(dimethoxy)phosphane.

Molecular Properties

Compound Namebut-3-enyl(dimethoxy)phosphane
PubChem CID13144872
Molecular FormulaC6H13O2P
Molecular Weight148.14 g/mol
Exact Mass148.07
IUPAC Namebut-3-enyl(dimethoxy)phosphane
SMILESC=CCCP(OC)OC
InChIInChI=1S/C6H13O2P/c1-4-5-6-9(7-2)8-3/h4H,1,5-6H2,2-3H3
InChIKeySNZYZTNYQOJOJM-UHFFFAOYSA-N
XLogP2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 135046929
CID 135046929
(111C)pent-1-ene
CID 177423582
methyl 4-methylnona-4,8-dienoate
CID 71333092
tris(hex-5-enyl)phosphane
CID 71420919
but-3-enyl-bis(1-methoxyethoxy)silane
CID 173068738
methyl 2-methylhepta-2,6-dienoate
CID 54478570
methoxymethane;tridec-12-en-1-ol
CID 87674016
(1E)-1-methoxyhepta-1,6-diene
CID 19739385
(5E)-5-methoxyhepta-1,5-diene
CID 88979708
CID 175109121
CID 175109121
N-(2-hydroxyethyl)-N-(2-methoxyethyl)pent-4-enamide
CID 115772576
4-ethoxybut-1-ene
CID 533994

Frequently Asked Questions

What is the IUPAC name of but-3-enyl(dimethoxy)phosphane?
The IUPAC name of but-3-enyl(dimethoxy)phosphane (CID 13144872) is but-3-enyl(dimethoxy)phosphane.
What is the SMILES notation for but-3-enyl(dimethoxy)phosphane?
The canonical SMILES for but-3-enyl(dimethoxy)phosphane is C=CCCP(OC)OC.
What is the InChIKey of but-3-enyl(dimethoxy)phosphane?
The InChIKey is SNZYZTNYQOJOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2P/c1-4-5-6-9(7-2)8-3/h4H,1,5-6H2,2-3H3.
What are the key properties of but-3-enyl(dimethoxy)phosphane?
but-3-enyl(dimethoxy)phosphane has a molecular weight of 148.14 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl(dimethoxy)phosphane is sourced from PubChem (CID 13144872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).