2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol

C10H18O3 — CID 130145096

IUPAC2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC1OC2(CCC(O)CC2)OC1C
InChIInChI=1S/C10H18O3/c1-7-8(2)13-10(12-7)5-3-9(11)4-6-10/h7-9,11H,3-6H2,1-2H3
InChIKeyWQQAMONHQYGFGM-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.44
Rot. Bonds

About 2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol

2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 130145096) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID130145096
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC1OC2(CCC(O)CC2)OC1C
InChIInChI=1S/C10H18O3/c1-7-8(2)13-10(12-7)5-3-9(11)4-6-10/h7-9,11H,3-6H2,1-2H3
InChIKeyWQQAMONHQYGFGM-UHFFFAOYSA-N
XLogP1.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
CID 20769609
2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane
CID 20769602
3-methyl-1-oxaspiro[4.5]decan-8-ol
CID 70367589
4-amino-4-propan-2-ylcyclohexan-1-ol
CID 99985687
2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane
CID 134997635
4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol
CID 123385352
CID 158702371
CID 158702371
(2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol
CID 11769525
spiro[3.5]nonane-3,7-diol
CID 139886993
4-methylcyclohexan-1-ol
CID 11524
potassium cyclopropanol
CID 18764435
cyclohexane-1,4-diol
CID 11162

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol (CID 130145096) is 2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol is CC1OC2(CCC(O)CC2)OC1C.
What is the InChIKey of 2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is WQQAMONHQYGFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7-8(2)13-10(12-7)5-3-9(11)4-6-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol?
2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 186.25 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 130145096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).