2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-ol

C12H22O3 — CID 58388200

IUPAC2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-ol
SMILESCC(C)(O)C1(C)CCC2(CC1)OCCO2
InChIInChI=1S/C12H22O3/c1-10(2,13)11(3)4-6-12(7-5-11)14-8-9-15-12/h13H,4-9H2,1-3H3
InChIKeyKZSGBAXAVMBRKD-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.08
Rot. Bonds1

About 2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-ol

2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-ol (PubChem CID 58388200) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-ol.

Molecular Properties

Compound Name2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-ol
PubChem CID58388200
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-ol
SMILESCC(C)(O)C1(C)CCC2(CC1)OCCO2
InChIInChI=1S/C12H22O3/c1-10(2,13)11(3)4-6-12(7-5-11)14-8-9-15-12/h13H,4-9H2,1-3H3
InChIKeyKZSGBAXAVMBRKD-UHFFFAOYSA-N
XLogP2.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-ol?
The IUPAC name of 2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-ol (CID 58388200) is 2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-ol.
What is the SMILES notation for 2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-ol?
The canonical SMILES for 2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-ol is CC(C)(O)C1(C)CCC2(CC1)OCCO2.
What is the InChIKey of 2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-ol?
The InChIKey is KZSGBAXAVMBRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-10(2,13)11(3)4-6-12(7-5-11)14-8-9-15-12/h13H,4-9H2,1-3H3.
What are the key properties of 2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-ol?
2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-ol has a molecular weight of 214.30 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-ol is sourced from PubChem (CID 58388200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).