cyclohexyl 6-methyl-2-methylideneheptanoate

C15H26O2 — CID 139998473

IUPACcyclohexyl 6-methyl-2-methylideneheptanoate
SMILESC=C(CCCC(C)C)C(=O)OC1CCCCC1
InChIInChI=1S/C15H26O2/c1-12(2)8-7-9-13(3)15(16)17-14-10-5-4-6-11-14/h12,14H,3-11H2,1-2H3
InChIKeyBXWPAKURAVRUBF-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.24
Rot. Bonds6

About cyclohexyl 6-methyl-2-methylideneheptanoate

cyclohexyl 6-methyl-2-methylideneheptanoate (PubChem CID 139998473) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is cyclohexyl 6-methyl-2-methylideneheptanoate.

Molecular Properties

Compound Namecyclohexyl 6-methyl-2-methylideneheptanoate
PubChem CID139998473
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namecyclohexyl 6-methyl-2-methylideneheptanoate
SMILESC=C(CCCC(C)C)C(=O)OC1CCCCC1
InChIInChI=1S/C15H26O2/c1-12(2)8-7-9-13(3)15(16)17-14-10-5-4-6-11-14/h12,14H,3-11H2,1-2H3
InChIKeyBXWPAKURAVRUBF-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexyl 6-methyl-2-methylideneheptanoate 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 cyclohexyl 6-methyl-2-methylideneheptanoate?
The IUPAC name of cyclohexyl 6-methyl-2-methylideneheptanoate (CID 139998473) is cyclohexyl 6-methyl-2-methylideneheptanoate.
What is the SMILES notation for cyclohexyl 6-methyl-2-methylideneheptanoate?
The canonical SMILES for cyclohexyl 6-methyl-2-methylideneheptanoate is C=C(CCCC(C)C)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 6-methyl-2-methylideneheptanoate?
The InChIKey is BXWPAKURAVRUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(2)8-7-9-13(3)15(16)17-14-10-5-4-6-11-14/h12,14H,3-11H2,1-2H3.
What are the key properties of cyclohexyl 6-methyl-2-methylideneheptanoate?
cyclohexyl 6-methyl-2-methylideneheptanoate has a molecular weight of 238.37 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 6-methyl-2-methylideneheptanoate is sourced from PubChem (CID 139998473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).