[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl] ethyl carbonate

C12H20O3 — CID 70557741

IUPAC[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl] ethyl carbonate
SMILESCCOC(=O)OC1C(C=C(C)C)C1(C)C
InChIInChI=1S/C12H20O3/c1-6-14-11(13)15-10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3
InChIKeyDPJMXXJAUSJLPN-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.15
Rot. Bonds3

About [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl] ethyl carbonate

[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl] ethyl carbonate (PubChem CID 70557741) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl] ethyl carbonate.

Molecular Properties

Compound Name[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl] ethyl carbonate
PubChem CID70557741
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl] ethyl carbonate
SMILESCCOC(=O)OC1C(C=C(C)C)C1(C)C
InChIInChI=1S/C12H20O3/c1-6-14-11(13)15-10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3
InChIKeyDPJMXXJAUSJLPN-UHFFFAOYSA-N
XLogP3.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.15
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 [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl] ethyl carbonate?
The IUPAC name of [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl] ethyl carbonate (CID 70557741) is [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl] ethyl carbonate.
What is the SMILES notation for [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl] ethyl carbonate?
The canonical SMILES for [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl] ethyl carbonate is CCOC(=O)OC1C(C=C(C)C)C1(C)C.
What is the InChIKey of [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl] ethyl carbonate?
The InChIKey is DPJMXXJAUSJLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-6-14-11(13)15-10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3.
What are the key properties of [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl] ethyl carbonate?
[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl] ethyl carbonate has a molecular weight of 212.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl] ethyl carbonate is sourced from PubChem (CID 70557741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).