2-butan-2-yloxypropyl carbonochloridate

C8H15ClO3 — CID 21490170

IUPAC2-butan-2-yloxypropyl carbonochloridate
SMILESCCC(C)OC(C)COC(=O)Cl
InChIInChI=1S/C8H15ClO3/c1-4-6(2)12-7(3)5-11-8(9)10/h6-7H,4-5H2,1-3H3
InChIKeyADSUEQSGRSPUGA-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.57
Rot. Bonds5

About 2-butan-2-yloxypropyl carbonochloridate

2-butan-2-yloxypropyl carbonochloridate (PubChem CID 21490170) has the molecular formula C8H15ClO3 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-butan-2-yloxypropyl carbonochloridate.

Molecular Properties

Compound Name2-butan-2-yloxypropyl carbonochloridate
PubChem CID21490170
Molecular FormulaC8H15ClO3
Molecular Weight194.66 g/mol
Exact Mass194.07
IUPAC Name2-butan-2-yloxypropyl carbonochloridate
SMILESCCC(C)OC(C)COC(=O)Cl
InChIInChI=1S/C8H15ClO3/c1-4-6(2)12-7(3)5-11-8(9)10/h6-7H,4-5H2,1-3H3
InChIKeyADSUEQSGRSPUGA-UHFFFAOYSA-N
XLogP2.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-methylpropyl carbonochloridate
CID 90713933
formic acid;2-methylpropyl carbonochloridate
CID 160930750
2-butan-2-yloxybutane;ethanol
CID 88614162
azane;2-butan-2-yloxybutane
CID 87187028
2,3-di(butan-2-yloxy)butanedioic acid
CID 87883512
2-butan-2-yloxypropyl methanesulfonate
CID 118371475
2-methylpropoxycarbonyl formate;2-methylpropyl carbonochloridate
CID 90931875
2-butan-2-yloxybutane;ethane-1,2-diol;bis(2-sulfanylacetic acid)
CID 174496086
(2S)-2-butan-2-yloxy-4-methylpentan-3-one
CID 176614687
butan-2-yl 2-chloropropanoate
CID 519977
dibutan-2-yl 2,3-dimethylbutanedioate
CID 582100
2-butan-2-yloxypropan-1-ol;fluoromethane
CID 145107348

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxypropyl carbonochloridate?
The IUPAC name of 2-butan-2-yloxypropyl carbonochloridate (CID 21490170) is 2-butan-2-yloxypropyl carbonochloridate.
What is the SMILES notation for 2-butan-2-yloxypropyl carbonochloridate?
The canonical SMILES for 2-butan-2-yloxypropyl carbonochloridate is CCC(C)OC(C)COC(=O)Cl.
What is the InChIKey of 2-butan-2-yloxypropyl carbonochloridate?
The InChIKey is ADSUEQSGRSPUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO3/c1-4-6(2)12-7(3)5-11-8(9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-butan-2-yloxypropyl carbonochloridate?
2-butan-2-yloxypropyl carbonochloridate has a molecular weight of 194.66 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxypropyl carbonochloridate is sourced from PubChem (CID 21490170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).