3-methylbut-2-enoxyphosphane

C5H11OP — CID 122609707

IUPAC3-methylbut-2-enoxyphosphane
SMILESCC(C)=CCOP
InChIInChI=1S/C5H11OP/c1-5(2)3-4-6-7/h3H,4,7H2,1-2H3
InChIKeyGRZUVRPIPJDPKX-UHFFFAOYSA-N
MW118.12 g/mol
LogP1.76
Rot. Bonds2

About 3-methylbut-2-enoxyphosphane

3-methylbut-2-enoxyphosphane (PubChem CID 122609707) has the molecular formula C5H11OP and a molecular weight of 118.12 g/mol. Its IUPAC name is 3-methylbut-2-enoxyphosphane.

Molecular Properties

Compound Name3-methylbut-2-enoxyphosphane
PubChem CID122609707
Molecular FormulaC5H11OP
Molecular Weight118.12 g/mol
Exact Mass118.05
IUPAC Name3-methylbut-2-enoxyphosphane
SMILESCC(C)=CCOP
InChIInChI=1S/C5H11OP/c1-5(2)3-4-6-7/h3H,4,7H2,1-2H3
InChIKeyGRZUVRPIPJDPKX-UHFFFAOYSA-N
XLogP1.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.12
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-prop-2-enoxybut-2-ene
CID 11366991
3-methylbut-2-enyl acetate
CID 87304509
3-methylbut-2-enyl nitrate
CID 10219448
[hydroxy(methyl)phosphoryl]oxy-(3-methylbut-2-enoxy)-oxophosphanium
CID 167582611
1-but-2-enoxy-3-methylbut-2-ene
CID 71324581
3-methylbut-2-enyl dihydrogen phosphate;phosphoric acid
CID 174360920
3-methylbut-2-enyl 2,2-dichloroacetate
CID 11138055
3-(3-methylbut-2-enoxy)propanal
CID 14431844
3-methylbut-2-enyl 3-oxobutanoate
CID 4173429
bis(3-methylbut-2-enoxy)phosphoryl bis(3-methylbut-2-enyl) phosphate;hydrate
CID 166721713
(E)-3-methyl(411C)but-2-en-1-ol
CID 11693897
5-methoxy-2,5-dimethylhex-2-ene
CID 10351802

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-2-enoxyphosphane?
The IUPAC name of 3-methylbut-2-enoxyphosphane (CID 122609707) is 3-methylbut-2-enoxyphosphane.
What is the SMILES notation for 3-methylbut-2-enoxyphosphane?
The canonical SMILES for 3-methylbut-2-enoxyphosphane is CC(C)=CCOP.
What is the InChIKey of 3-methylbut-2-enoxyphosphane?
The InChIKey is GRZUVRPIPJDPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11OP/c1-5(2)3-4-6-7/h3H,4,7H2,1-2H3.
What are the key properties of 3-methylbut-2-enoxyphosphane?
3-methylbut-2-enoxyphosphane has a molecular weight of 118.12 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-enoxyphosphane is sourced from PubChem (CID 122609707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).