cyclohexen-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone

C16H24O3 — CID 103449906

IUPACcyclohexen-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1=CCCCC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H24O3/c17-15(13-4-2-1-3-5-13)14-6-9-19-16(12-14)7-10-18-11-8-16/h4,14H,1-3,5-12H2
InChIKeyYXBIQYPHMYLQAB-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.03
Rot. Bonds2

About cyclohexen-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone

cyclohexen-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone (PubChem CID 103449906) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is cyclohexen-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
PubChem CID103449906
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Namecyclohexen-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1=CCCCC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H24O3/c17-15(13-4-2-1-3-5-13)14-6-9-19-16(12-14)7-10-18-11-8-16/h4,14H,1-3,5-12H2
InChIKeyYXBIQYPHMYLQAB-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohexen-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone 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 cyclohexen-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of cyclohexen-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone (CID 103449906) is cyclohexen-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for cyclohexen-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone is O=C(C1=CCCCC1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of cyclohexen-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is YXBIQYPHMYLQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c17-15(13-4-2-1-3-5-13)14-6-9-19-16(12-14)7-10-18-11-8-16/h4,14H,1-3,5-12H2.
What are the key properties of cyclohexen-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
cyclohexen-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 264.36 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 103449906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).