tert-butyl 2-methylbut-3-en-2-yl carbonate

C10H18O3 — CID 11615305

IUPACtert-butyl 2-methylbut-3-en-2-yl carbonate
SMILESC=CC(C)(C)OC(=O)OC(C)(C)C
InChIInChI=1S/C10H18O3/c1-7-10(5,6)13-8(11)12-9(2,3)4/h7H,1H2,2-6H3
InChIKeyZJQDKOCPGJENOX-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.90
Rot. Bonds2

About tert-butyl 2-methylbut-3-en-2-yl carbonate

tert-butyl 2-methylbut-3-en-2-yl carbonate (PubChem CID 11615305) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is tert-butyl 2-methylbut-3-en-2-yl carbonate.

Molecular Properties

Compound Nametert-butyl 2-methylbut-3-en-2-yl carbonate
PubChem CID11615305
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nametert-butyl 2-methylbut-3-en-2-yl carbonate
SMILESC=CC(C)(C)OC(=O)OC(C)(C)C
InChIInChI=1S/C10H18O3/c1-7-10(5,6)13-8(11)12-9(2,3)4/h7H,1H2,2-6H3
InChIKeyZJQDKOCPGJENOX-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methylbut-3-en-2-yl carbonate?
The IUPAC name of tert-butyl 2-methylbut-3-en-2-yl carbonate (CID 11615305) is tert-butyl 2-methylbut-3-en-2-yl carbonate.
What is the SMILES notation for tert-butyl 2-methylbut-3-en-2-yl carbonate?
The canonical SMILES for tert-butyl 2-methylbut-3-en-2-yl carbonate is C=CC(C)(C)OC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methylbut-3-en-2-yl carbonate?
The InChIKey is ZJQDKOCPGJENOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7-10(5,6)13-8(11)12-9(2,3)4/h7H,1H2,2-6H3.
What are the key properties of tert-butyl 2-methylbut-3-en-2-yl carbonate?
tert-butyl 2-methylbut-3-en-2-yl carbonate has a molecular weight of 186.25 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methylbut-3-en-2-yl carbonate is sourced from PubChem (CID 11615305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).