3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium

C12H25BrO2U — CID 161486686

IUPAC3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium
SMILESC=CCBr.C=CCOC(C)C.CC(C)O.[U]
InChIInChI=1S/C6H12O.C3H5Br.C3H8O.U/c1-4-5-7-6(2)3;1-2-3-4;1-3(2)4;/h4,6H,1,5H2,2-3H3;2H,1,3H2;3-4H,1-2H3;
InChIKeyWFBHENAGNDAXEJ-UHFFFAOYSA-N
MW519.26 g/mol
LogP3.55
Rot. Bonds4

About 3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium

3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium (PubChem CID 161486686) has the molecular formula C12H25BrO2U and a molecular weight of 519.26 g/mol. Its IUPAC name is 3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium.

Molecular Properties

Compound Name3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium
PubChem CID161486686
Molecular FormulaC12H25BrO2U
Molecular Weight519.26 g/mol
Exact Mass518.15
IUPAC Name3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium
SMILESC=CCBr.C=CCOC(C)C.CC(C)O.[U]
InChIInChI=1S/C6H12O.C3H5Br.C3H8O.U/c1-4-5-7-6(2)3;1-2-3-4;1-3(2)4;/h4,6H,1,5H2,2-3H3;2H,1,3H2;3-4H,1-2H3;
InChIKeyWFBHENAGNDAXEJ-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-methyl-bis(prop-2-enoxy)phosphanium
CID 174720559
1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol
CID 138664594
3-prop-2-enoxybutane-1,2-diol
CID 14859753
(2R)-1-propan-2-yloxypent-4-en-2-ol
CID 130127578
propan-2-ol;trihydroxy(prop-2-enoxy)silane
CID 88506518
3-bromoprop-1-ene;iodomethane
CID 174834999
(2S)-4-methyl-3-prop-2-enoxypentane-1,2-diol
CID 59911129
(E)-2-prop-2-enoxyhex-4-en-3-ol
CID 89174022
3-bromoprop-1-ene;zinc
CID 87243076
1-propan-2-yloxybut-3-en-2-one
CID 105110955
dimethyl-bis(1-prop-2-enoxyethyl)azanium
CID 87092032
2,5-bis(prop-2-enoxy)hex-3-yne
CID 54201306

Frequently Asked Questions

What is the IUPAC name of 3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium?
The IUPAC name of 3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium (CID 161486686) is 3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium.
What is the SMILES notation for 3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium?
The canonical SMILES for 3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium is C=CCBr.C=CCOC(C)C.CC(C)O.[U].
What is the InChIKey of 3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium?
The InChIKey is WFBHENAGNDAXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C3H5Br.C3H8O.U/c1-4-5-7-6(2)3;1-2-3-4;1-3(2)4;/h4,6H,1,5H2,2-3H3;2H,1,3H2;3-4H,1-2H3;.
What are the key properties of 3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium?
3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium has a molecular weight of 519.26 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium is sourced from PubChem (CID 161486686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).