4-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane

C15H26O3 — CID 139257551

IUPAC4-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane
SMILESCC(C)C1(CCC2CCCCC23CO3)OCCO1
InChIInChI=1S/C15H26O3/c1-12(2)15(16-9-10-17-15)8-6-13-5-3-4-7-14(13)11-18-14/h12-13H,3-11H2,1-2H3
InChIKeyIJSNUNKGTXKLCM-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.12
Rot. Bonds4

About 4-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane

4-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane (PubChem CID 139257551) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name4-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane
PubChem CID139257551
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name4-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane
SMILESCC(C)C1(CCC2CCCCC23CO3)OCCO1
InChIInChI=1S/C15H26O3/c1-12(2)15(16-9-10-17-15)8-6-13-5-3-4-7-14(13)11-18-14/h12-13H,3-11H2,1-2H3
InChIKeyIJSNUNKGTXKLCM-UHFFFAOYSA-N
XLogP3.12
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-[3-(2-methyl-2-oxiranyl)propyl]-1,3-dioxolane
CID 14078308
4-[2-(2-Methyl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane
CID 139257550
4-[2-(2-Butyl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane
CID 139257552
[1-Hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol
CID 139257560
[1-Hydroperoxy-2-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol
CID 139257561
6,6-Dimethyl-9-(3-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane
CID 559604
1,4-Dioxaspiro[4.5]decane, 6-methyl-9-(2-methyloxiran-2-yl)-
CID 593229
1-Propan-2-yl-2,7,10-trioxadispiro[2.2.46.23]dodecane
CID 100952466
5-Ethyl-1,2-dimethyl-6,8-dioxabicyclo[3.2.1]octane
CID 19884463
7-(2-Methoxyethyl)-1,4-dioxaspiro[4.5]decane
CID 57829033
3-(1,4-Dioxaspiro[4.5]decan-8-yl)pentan-3-ol
CID 58562785
2-(1,4-Dioxaspiro[4.5]decan-8-yl)propan-2-ol
CID 58562873

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane?
The IUPAC name of 4-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane (CID 139257551) is 4-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane.
What is the SMILES notation for 4-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane?
The canonical SMILES for 4-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane is CC(C)C1(CCC2CCCCC23CO3)OCCO1.
What is the InChIKey of 4-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane?
The InChIKey is IJSNUNKGTXKLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-12(2)15(16-9-10-17-15)8-6-13-5-3-4-7-14(13)11-18-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane?
4-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane has a molecular weight of 254.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]-1-oxaspiro[2.5]octane is sourced from PubChem (CID 139257551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).