[(5R)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] 2-methylprop-2-enoate

C14H20O2 — CID 139710135

IUPAC[(5R)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=C(C)CC[C@@H](C(=C)C)C1
InChIInChI=1S/C14H20O2/c1-9(2)12-7-6-11(5)13(8-12)16-14(15)10(3)4/h12H,1,3,6-8H2,2,4-5H3/t12-/m1/s1
InChIKeyVTJDBEAMAVFRPY-GFCCVEGCSA-N
MW220.31 g/mol
LogP3.76
Rot. Bonds3

About [(5R)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] 2-methylprop-2-enoate

[(5R)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] 2-methylprop-2-enoate (PubChem CID 139710135) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [(5R)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(5R)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] 2-methylprop-2-enoate
PubChem CID139710135
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[(5R)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=C(C)CC[C@@H](C(=C)C)C1
InChIInChI=1S/C14H20O2/c1-9(2)12-7-6-11(5)13(8-12)16-14(15)10(3)4/h12H,1,3,6-8H2,2,4-5H3/t12-/m1/s1
InChIKeyVTJDBEAMAVFRPY-GFCCVEGCSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5R)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] 2-methylprop-2-enoate?
The IUPAC name of [(5R)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] 2-methylprop-2-enoate (CID 139710135) is [(5R)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [(5R)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] 2-methylprop-2-enoate?
The canonical SMILES for [(5R)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1=C(C)CC[C@@H](C(=C)C)C1.
What is the InChIKey of [(5R)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] 2-methylprop-2-enoate?
The InChIKey is VTJDBEAMAVFRPY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20O2/c1-9(2)12-7-6-11(5)13(8-12)16-14(15)10(3)4/h12H,1,3,6-8H2,2,4-5H3/t12-/m1/s1.
What are the key properties of [(5R)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] 2-methylprop-2-enoate?
[(5R)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] 2-methylprop-2-enoate has a molecular weight of 220.31 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 139710135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).