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

C13H24O3 — CID 87989403

IUPACtert-butyl oct-1-en-3-yl carbonate
SMILESC=CC(CCCCC)OC(=O)OC(C)(C)C
InChIInChI=1S/C13H24O3/c1-6-8-9-10-11(7-2)15-12(14)16-13(3,4)5/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeyNUOCBCOPRJENNB-UHFFFAOYSA-N
MW228.33 g/mol
LogP4.07
Rot. Bonds6

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

tert-butyl oct-1-en-3-yl carbonate (PubChem CID 87989403) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is tert-butyl oct-1-en-3-yl carbonate.

Molecular Properties

Compound Nametert-butyl oct-1-en-3-yl carbonate
PubChem CID87989403
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nametert-butyl oct-1-en-3-yl carbonate
SMILESC=CC(CCCCC)OC(=O)OC(C)(C)C
InChIInChI=1S/C13H24O3/c1-6-8-9-10-11(7-2)15-12(14)16-13(3,4)5/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeyNUOCBCOPRJENNB-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl oct-1-en-3-yl carbonate?
The IUPAC name of tert-butyl oct-1-en-3-yl carbonate (CID 87989403) is tert-butyl oct-1-en-3-yl carbonate.
What is the SMILES notation for tert-butyl oct-1-en-3-yl carbonate?
The canonical SMILES for tert-butyl oct-1-en-3-yl carbonate is C=CC(CCCCC)OC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl oct-1-en-3-yl carbonate?
The InChIKey is NUOCBCOPRJENNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-6-8-9-10-11(7-2)15-12(14)16-13(3,4)5/h7,11H,2,6,8-10H2,1,3-5H3.
What are the key properties of tert-butyl oct-1-en-3-yl carbonate?
tert-butyl oct-1-en-3-yl carbonate has a molecular weight of 228.33 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl oct-1-en-3-yl carbonate is sourced from PubChem (CID 87989403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).