(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 2,2-dimethylpropanoate

C15H24O2 — CID 545235

IUPAC(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 2,2-dimethylpropanoate
SMILESC=C(C)C1CC=C(C)C(OC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H24O2/c1-10(2)12-8-7-11(3)13(9-12)17-14(16)15(4,5)6/h7,12-13H,1,8-9H2,2-6H3
InChIKeyDWANKGPRCZFGFO-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.88
Rot. Bonds2

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

(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 2,2-dimethylpropanoate (PubChem CID 545235) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 2,2-dimethylpropanoate
PubChem CID545235
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 2,2-dimethylpropanoate
SMILESC=C(C)C1CC=C(C)C(OC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H24O2/c1-10(2)12-8-7-11(3)13(9-12)17-14(16)15(4,5)6/h7,12-13H,1,8-9H2,2-6H3
InChIKeyDWANKGPRCZFGFO-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 2,2-dimethylpropanoate (CID 545235) is (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 2,2-dimethylpropanoate is C=C(C)C1CC=C(C)C(OC(=O)C(C)(C)C)C1.
What is the InChIKey of (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 2,2-dimethylpropanoate?
The InChIKey is DWANKGPRCZFGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)12-8-7-11(3)13(9-12)17-14(16)15(4,5)6/h7,12-13H,1,8-9H2,2-6H3.
What are the key properties of (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 2,2-dimethylpropanoate?
(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 2,2-dimethylpropanoate has a molecular weight of 236.35 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 545235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).