(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol

C10H18O3 — CID 12568263

IUPAC(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol
SMILESCC1(CO)CCC2(CC1)OCCO2
InChIInChI=1S/C10H18O3/c1-9(8-11)2-4-10(5-3-9)12-6-7-13-10/h11H,2-8H2,1H3
InChIKeyZDECMKJUNXSDQO-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.30
Rot. Bonds1

About (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol

(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol (PubChem CID 12568263) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol.

Molecular Properties

Compound Name(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol
PubChem CID12568263
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol
SMILESCC1(CO)CCC2(CC1)OCCO2
InChIInChI=1S/C10H18O3/c1-9(8-11)2-4-10(5-3-9)12-6-7-13-10/h11H,2-8H2,1H3
InChIKeyZDECMKJUNXSDQO-UHFFFAOYSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol?
The IUPAC name of (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol (CID 12568263) is (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol.
What is the SMILES notation for (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol?
The canonical SMILES for (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol is CC1(CO)CCC2(CC1)OCCO2.
What is the InChIKey of (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol?
The InChIKey is ZDECMKJUNXSDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(8-11)2-4-10(5-3-9)12-6-7-13-10/h11H,2-8H2,1H3.
What are the key properties of (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol?
(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol has a molecular weight of 186.25 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol is sourced from PubChem (CID 12568263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).