[(Z)-4-methylpent-2-en-3-yl] prop-2-enyl carbonate

C10H16O3 — CID 135083806

IUPAC[(Z)-4-methylpent-2-en-3-yl] prop-2-enyl carbonate
SMILESC=CCOC(=O)O/C(=C\C)C(C)C
InChIInChI=1S/C10H16O3/c1-5-7-12-10(11)13-9(6-2)8(3)4/h5-6,8H,1,7H2,2-4H3/b9-6-
InChIKeyUXBOZDWIYBOCRA-TWGQIWQCSA-N
MW184.23 g/mol
LogP2.89
Rot. Bonds4

About [(Z)-4-methylpent-2-en-3-yl] prop-2-enyl carbonate

[(Z)-4-methylpent-2-en-3-yl] prop-2-enyl carbonate (PubChem CID 135083806) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [(Z)-4-methylpent-2-en-3-yl] prop-2-enyl carbonate.

Molecular Properties

Compound Name[(Z)-4-methylpent-2-en-3-yl] prop-2-enyl carbonate
PubChem CID135083806
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[(Z)-4-methylpent-2-en-3-yl] prop-2-enyl carbonate
SMILESC=CCOC(=O)O/C(=C\C)C(C)C
InChIInChI=1S/C10H16O3/c1-5-7-12-10(11)13-9(6-2)8(3)4/h5-6,8H,1,7H2,2-4H3/b9-6-
InChIKeyUXBOZDWIYBOCRA-TWGQIWQCSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-methylpent-2-en-3-yl] prop-2-enyl carbonate?
The IUPAC name of [(Z)-4-methylpent-2-en-3-yl] prop-2-enyl carbonate (CID 135083806) is [(Z)-4-methylpent-2-en-3-yl] prop-2-enyl carbonate.
What is the SMILES notation for [(Z)-4-methylpent-2-en-3-yl] prop-2-enyl carbonate?
The canonical SMILES for [(Z)-4-methylpent-2-en-3-yl] prop-2-enyl carbonate is C=CCOC(=O)O/C(=C\C)C(C)C.
What is the InChIKey of [(Z)-4-methylpent-2-en-3-yl] prop-2-enyl carbonate?
The InChIKey is UXBOZDWIYBOCRA-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-7-12-10(11)13-9(6-2)8(3)4/h5-6,8H,1,7H2,2-4H3/b9-6-.
What are the key properties of [(Z)-4-methylpent-2-en-3-yl] prop-2-enyl carbonate?
[(Z)-4-methylpent-2-en-3-yl] prop-2-enyl carbonate has a molecular weight of 184.23 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-methylpent-2-en-3-yl] prop-2-enyl carbonate is sourced from PubChem (CID 135083806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).