tert-butyl 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclopropane-1-carboxylate

C16H24O4 — CID 90298828

IUPACtert-butyl 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(C2=CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H24O4/c1-14(2,3)20-13(17)15(8-9-15)12-4-6-16(7-5-12)18-10-11-19-16/h4H,5-11H2,1-3H3
InChIKeyRXZGBGQQEZOBRU-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.96
Rot. Bonds2

About tert-butyl 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclopropane-1-carboxylate

tert-butyl 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclopropane-1-carboxylate (PubChem CID 90298828) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is tert-butyl 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclopropane-1-carboxylate
PubChem CID90298828
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Nametert-butyl 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(C2=CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H24O4/c1-14(2,3)20-13(17)15(8-9-15)12-4-6-16(7-5-12)18-10-11-19-16/h4H,5-11H2,1-3H3
InChIKeyRXZGBGQQEZOBRU-UHFFFAOYSA-N
XLogP2.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclopropane-1-carboxylate 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

Tert-butyl 4-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-3'-ylbutanoate
CID 134954880
4-(2,2,6,6,8-Pentamethyl-1,3-dioxaspiro[4.5]dec-7-en-7-yl)butanoic acid
CID 11055555
methyl (9'Z)-3'-ethyl-9'-ethylidenespiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-3-ene]-1'-carboxylate
CID 21592646
methyl (9'E)-3'-ethyl-9'-ethylidenespiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-3-ene]-1'-carboxylate
CID 21592647
5-[3-(4,4-Dimethoxycyclohexen-1-yl)propyl]-5-ethyloxolan-2-one
CID 21450756
5-[3-(4,4-Dimethoxycyclohexen-1-yl)propyl]-5-methyloxolan-2-one
CID 21450760
Ethyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-methylpropanoate
CID 22501925
Methyl 4-[(1E)-3-(2-methyl-1,3-dioxolan-2-yl)prop-1-enyl]bicyclo[2.2.2]octane-1-carboxylate
CID 22591691
Methyl 4-[3-(2-methyl-1,3-dioxolan-2-yl)prop-1-enyl]bicyclo[2.2.2]octane-1-carboxylate
CID 69068780
methyl 1,4-dimethyl-4-[(E)-3-(2-methyl-1,3-dioxolan-2-yl)prop-1-enyl]cyclohexane-1-carboxylate
CID 70994714
methyl (E)-2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)oct-6-enoate
CID 71028727
Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-methylpropanoate
CID 121477714

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclopropane-1-carboxylate (CID 90298828) is tert-butyl 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclopropane-1-carboxylate is CC(C)(C)OC(=O)C1(C2=CCC3(CC2)OCCO3)CC1.
What is the InChIKey of tert-butyl 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclopropane-1-carboxylate?
The InChIKey is RXZGBGQQEZOBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-14(2,3)20-13(17)15(8-9-15)12-4-6-16(7-5-12)18-10-11-19-16/h4H,5-11H2,1-3H3.
What are the key properties of tert-butyl 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclopropane-1-carboxylate?
tert-butyl 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclopropane-1-carboxylate has a molecular weight of 280.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 90298828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).