2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol

C11H20O3 — CID 121222293

IUPAC2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol
SMILESCC1(CCO)CCCC2(C1)OCCO2
InChIInChI=1S/C11H20O3/c1-10(5-6-12)3-2-4-11(9-10)13-7-8-14-11/h12H,2-9H2,1H3
InChIKeyQPUOEAWEDODDGW-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.69
Rot. Bonds2

About 2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol

2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol (PubChem CID 121222293) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol.

Molecular Properties

Compound Name2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol
PubChem CID121222293
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol
SMILESCC1(CCO)CCCC2(C1)OCCO2
InChIInChI=1S/C11H20O3/c1-10(5-6-12)3-2-4-11(9-10)13-7-8-14-11/h12H,2-9H2,1H3
InChIKeyQPUOEAWEDODDGW-UHFFFAOYSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol?
The IUPAC name of 2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol (CID 121222293) is 2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol.
What is the SMILES notation for 2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol?
The canonical SMILES for 2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol is CC1(CCO)CCCC2(C1)OCCO2.
What is the InChIKey of 2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol?
The InChIKey is QPUOEAWEDODDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(5-6-12)3-2-4-11(9-10)13-7-8-14-11/h12H,2-9H2,1H3.
What are the key properties of 2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol?
2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol has a molecular weight of 200.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol is sourced from PubChem (CID 121222293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).