tert-butyl hex-1-en-3-yl carbonate

C11H20O3 — CID 11446975

IUPACtert-butyl hex-1-en-3-yl carbonate
SMILESC=CC(CCC)OC(=O)OC(C)(C)C
InChIInChI=1S/C11H20O3/c1-6-8-9(7-2)13-10(12)14-11(3,4)5/h7,9H,2,6,8H2,1,3-5H3
InChIKeyXMRLGWQBGSRSDY-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.29
Rot. Bonds4

About tert-butyl hex-1-en-3-yl carbonate

tert-butyl hex-1-en-3-yl carbonate (PubChem CID 11446975) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl hex-1-en-3-yl carbonate.

Molecular Properties

Compound Nametert-butyl hex-1-en-3-yl carbonate
PubChem CID11446975
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nametert-butyl hex-1-en-3-yl carbonate
SMILESC=CC(CCC)OC(=O)OC(C)(C)C
InChIInChI=1S/C11H20O3/c1-6-8-9(7-2)13-10(12)14-11(3,4)5/h7,9H,2,6,8H2,1,3-5H3
InChIKeyXMRLGWQBGSRSDY-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.29
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 hex-1-en-3-yl carbonate?
The IUPAC name of tert-butyl hex-1-en-3-yl carbonate (CID 11446975) is tert-butyl hex-1-en-3-yl carbonate.
What is the SMILES notation for tert-butyl hex-1-en-3-yl carbonate?
The canonical SMILES for tert-butyl hex-1-en-3-yl carbonate is C=CC(CCC)OC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl hex-1-en-3-yl carbonate?
The InChIKey is XMRLGWQBGSRSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-6-8-9(7-2)13-10(12)14-11(3,4)5/h7,9H,2,6,8H2,1,3-5H3.
What are the key properties of tert-butyl hex-1-en-3-yl carbonate?
tert-butyl hex-1-en-3-yl carbonate has a molecular weight of 200.28 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl hex-1-en-3-yl carbonate is sourced from PubChem (CID 11446975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).