spiro[3.5]non-7-en-7-yl benzoate

C16H18O2 — CID 175990478

IUPACspiro[3.5]non-7-en-7-yl benzoate
SMILESO=C(OC1=CCC2(CCC2)CC1)c1ccccc1
InChIInChI=1S/C16H18O2/c17-15(13-5-2-1-3-6-13)18-14-7-11-16(12-8-14)9-4-10-16/h1-3,5-7H,4,8-12H2
InChIKeyCXSRNNFIFQFNKY-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.08
Rot. Bonds2

About spiro[3.5]non-7-en-7-yl benzoate

spiro[3.5]non-7-en-7-yl benzoate (PubChem CID 175990478) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is spiro[3.5]non-7-en-7-yl benzoate.

Molecular Properties

Compound Namespiro[3.5]non-7-en-7-yl benzoate
PubChem CID175990478
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Namespiro[3.5]non-7-en-7-yl benzoate
SMILESO=C(OC1=CCC2(CCC2)CC1)c1ccccc1
InChIInChI=1S/C16H18O2/c17-15(13-5-2-1-3-6-13)18-14-7-11-16(12-8-14)9-4-10-16/h1-3,5-7H,4,8-12H2
InChIKeyCXSRNNFIFQFNKY-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[3.5]non-7-en-7-yl benzoate with MolForge

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

Launch Full Analysis

Related Compounds

cycloocten-1-yl benzoate
CID 85420159
(1-methyl-1-oxido-3,6-dihydro-2H-pyridin-1-ium-4-yl) benzoate
CID 10014201
(5-oxo-1,2-dihydropyrrol-3-yl) benzoate
CID 15270201
(1-methylcyclopropyl) benzoate
CID 14416714
(6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate
CID 143295308
(2,5-dioxopyrrol-3-yl) benzoate
CID 70270981
(2,4-dioxo-1H-pyrimidin-5-yl) benzoate
CID 154115607
(2-ethyl-6-oxocyclohexen-1-yl) benzoate
CID 86026938
[4-(1-fluorocyclohexyl)phenyl] benzoate
CID 134845020
1-(1-methylcyclopentyl)ethenyl benzoate
CID 140564913
(3,3,5,5-tetramethylpiperazin-1-yl) benzoate
CID 18629568
(1-methylcyclopropyl)methyl benzoate
CID 10465127

Frequently Asked Questions

What is the IUPAC name of spiro[3.5]non-7-en-7-yl benzoate?
The IUPAC name of spiro[3.5]non-7-en-7-yl benzoate (CID 175990478) is spiro[3.5]non-7-en-7-yl benzoate.
What is the SMILES notation for spiro[3.5]non-7-en-7-yl benzoate?
The canonical SMILES for spiro[3.5]non-7-en-7-yl benzoate is O=C(OC1=CCC2(CCC2)CC1)c1ccccc1.
What is the InChIKey of spiro[3.5]non-7-en-7-yl benzoate?
The InChIKey is CXSRNNFIFQFNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c17-15(13-5-2-1-3-6-13)18-14-7-11-16(12-8-14)9-4-10-16/h1-3,5-7H,4,8-12H2.
What are the key properties of spiro[3.5]non-7-en-7-yl benzoate?
spiro[3.5]non-7-en-7-yl benzoate has a molecular weight of 242.32 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3.5]non-7-en-7-yl benzoate is sourced from PubChem (CID 175990478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).