methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate

C12H18O3 — CID 11106628

IUPACmethyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate
SMILESC=C(C)C1CC=C(C)C(OC(=O)OC)C1
InChIInChI=1S/C12H18O3/c1-8(2)10-6-5-9(3)11(7-10)15-12(13)14-4/h5,10-11H,1,6-7H2,2-4H3
InChIKeyDUXMOJKCBPKQHR-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.07
Rot. Bonds2

About methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate

methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate (PubChem CID 11106628) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate.

Molecular Properties

Compound Namemethyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate
PubChem CID11106628
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Namemethyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate
SMILESC=C(C)C1CC=C(C)C(OC(=O)OC)C1
InChIInChI=1S/C12H18O3/c1-8(2)10-6-5-9(3)11(7-10)15-12(13)14-4/h5,10-11H,1,6-7H2,2-4H3
InChIKeyDUXMOJKCBPKQHR-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate?
The IUPAC name of methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate (CID 11106628) is methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate.
What is the SMILES notation for methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate?
The canonical SMILES for methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate is C=C(C)C1CC=C(C)C(OC(=O)OC)C1.
What is the InChIKey of methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate?
The InChIKey is DUXMOJKCBPKQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8(2)10-6-5-9(3)11(7-10)15-12(13)14-4/h5,10-11H,1,6-7H2,2-4H3.
What are the key properties of methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate?
methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate has a molecular weight of 210.27 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate is sourced from PubChem (CID 11106628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).