(1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate

C16H26O2 — CID 91415677

IUPAC(1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate
SMILESCC(C(=O)OC1(C(C)C)CCCCCC1)=C1CC1
InChIInChI=1S/C16H26O2/c1-12(2)16(10-6-4-5-7-11-16)18-15(17)13(3)14-8-9-14/h12H,4-11H2,1-3H3
InChIKeyFNRGDSGHHZUREJ-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.39
Rot. Bonds3

About (1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate

(1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate (PubChem CID 91415677) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate.

Molecular Properties

Compound Name(1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate
PubChem CID91415677
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate
SMILESCC(C(=O)OC1(C(C)C)CCCCCC1)=C1CC1
InChIInChI=1S/C16H26O2/c1-12(2)16(10-6-4-5-7-11-16)18-15(17)13(3)14-8-9-14/h12H,4-11H2,1-3H3
InChIKeyFNRGDSGHHZUREJ-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate 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 (1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate?
The IUPAC name of (1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate (CID 91415677) is (1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate.
What is the SMILES notation for (1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate?
The canonical SMILES for (1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate is CC(C(=O)OC1(C(C)C)CCCCCC1)=C1CC1.
What is the InChIKey of (1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate?
The InChIKey is FNRGDSGHHZUREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-12(2)16(10-6-4-5-7-11-16)18-15(17)13(3)14-8-9-14/h12H,4-11H2,1-3H3.
What are the key properties of (1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate?
(1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate has a molecular weight of 250.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate is sourced from PubChem (CID 91415677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).