8-methyl-8-(1-propan-2-yloxyethyl)-1,4-dioxaspiro[4.5]decane

C14H26O3 — CID 91579086

IUPAC8-methyl-8-(1-propan-2-yloxyethyl)-1,4-dioxaspiro[4.5]decane
SMILESCC(C)OC(C)C1(C)CCC2(CC1)OCCO2
InChIInChI=1S/C14H26O3/c1-11(2)17-12(3)13(4)5-7-14(8-6-13)15-9-10-16-14/h11-12H,5-10H2,1-4H3
InChIKeyQOTZDDPBBBAWGR-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.12
Rot. Bonds3

About 8-methyl-8-(1-propan-2-yloxyethyl)-1,4-dioxaspiro[4.5]decane

8-methyl-8-(1-propan-2-yloxyethyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 91579086) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 8-methyl-8-(1-propan-2-yloxyethyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-8-(1-propan-2-yloxyethyl)-1,4-dioxaspiro[4.5]decane
PubChem CID91579086
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name8-methyl-8-(1-propan-2-yloxyethyl)-1,4-dioxaspiro[4.5]decane
SMILESCC(C)OC(C)C1(C)CCC2(CC1)OCCO2
InChIInChI=1S/C14H26O3/c1-11(2)17-12(3)13(4)5-7-14(8-6-13)15-9-10-16-14/h11-12H,5-10H2,1-4H3
InChIKeyQOTZDDPBBBAWGR-UHFFFAOYSA-N
XLogP3.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-(1-propan-2-yloxyethyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-methyl-8-(1-propan-2-yloxyethyl)-1,4-dioxaspiro[4.5]decane (CID 91579086) is 8-methyl-8-(1-propan-2-yloxyethyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-8-(1-propan-2-yloxyethyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-methyl-8-(1-propan-2-yloxyethyl)-1,4-dioxaspiro[4.5]decane is CC(C)OC(C)C1(C)CCC2(CC1)OCCO2.
What is the InChIKey of 8-methyl-8-(1-propan-2-yloxyethyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is QOTZDDPBBBAWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-11(2)17-12(3)13(4)5-7-14(8-6-13)15-9-10-16-14/h11-12H,5-10H2,1-4H3.
What are the key properties of 8-methyl-8-(1-propan-2-yloxyethyl)-1,4-dioxaspiro[4.5]decane?
8-methyl-8-(1-propan-2-yloxyethyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 242.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-(1-propan-2-yloxyethyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 91579086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).