3-methylbut-3-en-2-yloxyphosphane

C5H11OP — CID 118861464

IUPAC3-methylbut-3-en-2-yloxyphosphane
SMILESC=C(C)C(C)OP
InChIInChI=1S/C5H11OP/c1-4(2)5(3)6-7/h5H,1,7H2,2-3H3
InChIKeyRSMSHLFIIZZTEJ-UHFFFAOYSA-N
MW118.12 g/mol
LogP1.76
Rot. Bonds2

About 3-methylbut-3-en-2-yloxyphosphane

3-methylbut-3-en-2-yloxyphosphane (PubChem CID 118861464) has the molecular formula C5H11OP and a molecular weight of 118.12 g/mol. Its IUPAC name is 3-methylbut-3-en-2-yloxyphosphane.

Molecular Properties

Compound Name3-methylbut-3-en-2-yloxyphosphane
PubChem CID118861464
Molecular FormulaC5H11OP
Molecular Weight118.12 g/mol
Exact Mass118.05
IUPAC Name3-methylbut-3-en-2-yloxyphosphane
SMILESC=C(C)C(C)OP
InChIInChI=1S/C5H11OP/c1-4(2)5(3)6-7/h5H,1,7H2,2-3H3
InChIKeyRSMSHLFIIZZTEJ-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

4-methoxy-2,3-dimethylpent-1-ene
CID 13025009
tert-butyl-dimethyl-(3-methylbut-3-en-2-yloxy)silane
CID 15935934
2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
CID 158413804
3-methylbut-3-en-2-yloxybenzene
CID 564925
N-ethyl-4-methoxy-2-methylpent-1-en-3-amine
CID 79616696
2,4-dimethyl-3-propan-2-ylpent-1-ene
CID 91388460
(4S)-2,3,4-trimethylhex-1-ene
CID 169204479
2-methoxycarbonyl-3-methylbut-3-enoic acid
CID 14024770
methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate
CID 134904639
1-prop-1-en-2-yloxypropan-2-ol
CID 15051326
(2S)-N-ethyl-3-methylbut-3-en-2-amine
CID 89198318
(2R)-3-hydroperoxy-4-methylpent-4-en-2-ol
CID 135040544

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-3-en-2-yloxyphosphane?
The IUPAC name of 3-methylbut-3-en-2-yloxyphosphane (CID 118861464) is 3-methylbut-3-en-2-yloxyphosphane.
What is the SMILES notation for 3-methylbut-3-en-2-yloxyphosphane?
The canonical SMILES for 3-methylbut-3-en-2-yloxyphosphane is C=C(C)C(C)OP.
What is the InChIKey of 3-methylbut-3-en-2-yloxyphosphane?
The InChIKey is RSMSHLFIIZZTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11OP/c1-4(2)5(3)6-7/h5H,1,7H2,2-3H3.
What are the key properties of 3-methylbut-3-en-2-yloxyphosphane?
3-methylbut-3-en-2-yloxyphosphane 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-3-en-2-yloxyphosphane is sourced from PubChem (CID 118861464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).