ethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate

C18H26O4 — CID 169226003

IUPACethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate
SMILESCCOC(=O)CC1CC=C(C2=CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C18H26O4/c1-2-20-17(19)13-14-3-5-15(6-4-14)16-7-9-18(10-8-16)21-11-12-22-18/h5,7,14H,2-4,6,8-13H2,1H3
InChIKeyIUNIYGDRAZGXCU-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.52
Rot. Bonds4

About ethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate

ethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate (PubChem CID 169226003) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is ethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate
PubChem CID169226003
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Nameethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate
SMILESCCOC(=O)CC1CC=C(C2=CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C18H26O4/c1-2-20-17(19)13-14-3-5-15(6-4-14)16-7-9-18(10-8-16)21-11-12-22-18/h5,7,14H,2-4,6,8-13H2,1H3
InChIKeyIUNIYGDRAZGXCU-UHFFFAOYSA-N
XLogP3.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate 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 ethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate (CID 169226003) is ethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate is CCOC(=O)CC1CC=C(C2=CCC3(CC2)OCCO3)CC1.
What is the InChIKey of ethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate?
The InChIKey is IUNIYGDRAZGXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-2-20-17(19)13-14-3-5-15(6-4-14)16-7-9-18(10-8-16)21-11-12-22-18/h5,7,14H,2-4,6,8-13H2,1H3.
What are the key properties of ethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate?
ethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate has a molecular weight of 306.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate is sourced from PubChem (CID 169226003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).