butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium

C12H24O2P+ — CID 175290626

IUPACbutyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium
SMILESC=C(C)C(=O)OC(C)[P+](C)(C)CCCC
InChIInChI=1S/C12H24O2P/c1-7-8-9-15(5,6)11(4)14-12(13)10(2)3/h11H,2,7-9H2,1,3-6H3/q+1
InChIKeyULPQSYQQOTUKHC-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.53
Rot. Bonds6

About butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium

butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium (PubChem CID 175290626) has the molecular formula C12H24O2P+ and a molecular weight of 231.30 g/mol. Its IUPAC name is butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium.

Molecular Properties

Compound Namebutyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium
PubChem CID175290626
Molecular FormulaC12H24O2P+
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Namebutyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium
SMILESC=C(C)C(=O)OC(C)[P+](C)(C)CCCC
InChIInChI=1S/C12H24O2P/c1-7-8-9-15(5,6)11(4)14-12(13)10(2)3/h11H,2,7-9H2,1,3-6H3/q+1
InChIKeyULPQSYQQOTUKHC-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-(hydroxymethyl)heptan-2-yl 2-methylprop-2-enoate
CID 54259962
2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate
CID 19391086
(1-hydroxy-2-methylhexyl) 2-methylprop-2-enoate
CID 23431556
1-chloropentyl 2-methylprop-2-enoate
CID 174740582
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
undecan-5-yl 2-methylprop-2-enoate
CID 87158130
1-methoxypentyl 2-methylprop-2-enoate
CID 140764289
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
1-ethoxypentyl 2-methylprop-2-enoate
CID 118268254
2-(2-methylprop-2-enoyloxy)octan-3-ylcarbamic acid
CID 87228615
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
1-hydroxypentyl 2-methylprop-2-enoate;phosphoric acid
CID 175051350

Frequently Asked Questions

What is the IUPAC name of butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium?
The IUPAC name of butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium (CID 175290626) is butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium.
What is the SMILES notation for butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium?
The canonical SMILES for butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium is C=C(C)C(=O)OC(C)[P+](C)(C)CCCC.
What is the InChIKey of butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium?
The InChIKey is ULPQSYQQOTUKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2P/c1-7-8-9-15(5,6)11(4)14-12(13)10(2)3/h11H,2,7-9H2,1,3-6H3/q+1.
What are the key properties of butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium?
butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium has a molecular weight of 231.30 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium is sourced from PubChem (CID 175290626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).