9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane

C12H22O2 — CID 13113306

IUPAC9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane
SMILESCC1CCC(C(C)C)C2(C1)OCCO2
InChIInChI=1S/C12H22O2/c1-9(2)11-5-4-10(3)8-12(11)13-6-7-14-12/h9-11H,4-8H2,1-3H3
InChIKeyVSRLYSJKKXAFCR-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.82
Rot. Bonds1

About 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane

9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane (PubChem CID 13113306) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane
PubChem CID13113306
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane
SMILESCC1CCC(C(C)C)C2(C1)OCCO2
InChIInChI=1S/C12H22O2/c1-9(2)11-5-4-10(3)8-12(11)13-6-7-14-12/h9-11H,4-8H2,1-3H3
InChIKeyVSRLYSJKKXAFCR-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane (CID 13113306) is 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane is CC1CCC(C(C)C)C2(C1)OCCO2.
What is the InChIKey of 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane?
The InChIKey is VSRLYSJKKXAFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(2)11-5-4-10(3)8-12(11)13-6-7-14-12/h9-11H,4-8H2,1-3H3.
What are the key properties of 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane?
9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane has a molecular weight of 198.31 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 13113306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).