methyl 5-propoxypent-2-enyl carbonate

C10H18O4 — CID 123841485

IUPACmethyl 5-propoxypent-2-enyl carbonate
SMILESCCCOCCC=CCOC(=O)OC
InChIInChI=1S/C10H18O4/c1-3-7-13-8-5-4-6-9-14-10(11)12-2/h4,6H,3,5,7-9H2,1-2H3
InChIKeyDLBRAVSJSIQTKF-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.14
Rot. Bonds7

About methyl 5-propoxypent-2-enyl carbonate

methyl 5-propoxypent-2-enyl carbonate (PubChem CID 123841485) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 5-propoxypent-2-enyl carbonate.

Molecular Properties

Compound Namemethyl 5-propoxypent-2-enyl carbonate
PubChem CID123841485
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl 5-propoxypent-2-enyl carbonate
SMILESCCCOCCC=CCOC(=O)OC
InChIInChI=1S/C10H18O4/c1-3-7-13-8-5-4-6-9-14-10(11)12-2/h4,6H,3,5,7-9H2,1-2H3
InChIKeyDLBRAVSJSIQTKF-UHFFFAOYSA-N
XLogP2.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 5-propoxypent-2-enyl carbonate?
The IUPAC name of methyl 5-propoxypent-2-enyl carbonate (CID 123841485) is methyl 5-propoxypent-2-enyl carbonate.
What is the SMILES notation for methyl 5-propoxypent-2-enyl carbonate?
The canonical SMILES for methyl 5-propoxypent-2-enyl carbonate is CCCOCCC=CCOC(=O)OC.
What is the InChIKey of methyl 5-propoxypent-2-enyl carbonate?
The InChIKey is DLBRAVSJSIQTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-7-13-8-5-4-6-9-14-10(11)12-2/h4,6H,3,5,7-9H2,1-2H3.
What are the key properties of methyl 5-propoxypent-2-enyl carbonate?
methyl 5-propoxypent-2-enyl carbonate has a molecular weight of 202.25 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-propoxypent-2-enyl carbonate is sourced from PubChem (CID 123841485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).