[(E)-2-methylnon-3-en-2-yl] propan-2-yl carbonate

C14H26O3 — CID 154710120

IUPAC[(E)-2-methylnon-3-en-2-yl] propan-2-yl carbonate
SMILESCCCCC/C=C/C(C)(C)OC(=O)OC(C)C
InChIInChI=1S/C14H26O3/c1-6-7-8-9-10-11-14(4,5)17-13(15)16-12(2)3/h10-12H,6-9H2,1-5H3/b11-10+
InChIKeyFDJXICXYEUJYRV-ZHACJKMWSA-N
MW242.36 g/mol
LogP4.46
Rot. Bonds7

About [(E)-2-methylnon-3-en-2-yl] propan-2-yl carbonate

[(E)-2-methylnon-3-en-2-yl] propan-2-yl carbonate (PubChem CID 154710120) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is [(E)-2-methylnon-3-en-2-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[(E)-2-methylnon-3-en-2-yl] propan-2-yl carbonate
PubChem CID154710120
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name[(E)-2-methylnon-3-en-2-yl] propan-2-yl carbonate
SMILESCCCCC/C=C/C(C)(C)OC(=O)OC(C)C
InChIInChI=1S/C14H26O3/c1-6-7-8-9-10-11-14(4,5)17-13(15)16-12(2)3/h10-12H,6-9H2,1-5H3/b11-10+
InChIKeyFDJXICXYEUJYRV-ZHACJKMWSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.46
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 [(E)-2-methylnon-3-en-2-yl] propan-2-yl carbonate?
The IUPAC name of [(E)-2-methylnon-3-en-2-yl] propan-2-yl carbonate (CID 154710120) is [(E)-2-methylnon-3-en-2-yl] propan-2-yl carbonate.
What is the SMILES notation for [(E)-2-methylnon-3-en-2-yl] propan-2-yl carbonate?
The canonical SMILES for [(E)-2-methylnon-3-en-2-yl] propan-2-yl carbonate is CCCCC/C=C/C(C)(C)OC(=O)OC(C)C.
What is the InChIKey of [(E)-2-methylnon-3-en-2-yl] propan-2-yl carbonate?
The InChIKey is FDJXICXYEUJYRV-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H26O3/c1-6-7-8-9-10-11-14(4,5)17-13(15)16-12(2)3/h10-12H,6-9H2,1-5H3/b11-10+.
What are the key properties of [(E)-2-methylnon-3-en-2-yl] propan-2-yl carbonate?
[(E)-2-methylnon-3-en-2-yl] propan-2-yl carbonate has a molecular weight of 242.36 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylnon-3-en-2-yl] propan-2-yl carbonate is sourced from PubChem (CID 154710120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).