ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol

C11H22O3 — CID 143931263

IUPACethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC.CC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C9H16O3.C2H6/c1-8(10)2-4-9(5-3-8)11-6-7-12-9;1-2/h10H,2-7H2,1H3;1-2H3
InChIKeyCFMHPDVKOUESCE-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.08
Rot. Bonds

About ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol

ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 143931263) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Nameethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID143931263
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Nameethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC.CC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C9H16O3.C2H6/c1-8(10)2-4-9(5-3-8)11-6-7-12-9;1-2/h10H,2-7H2,1H3;1-2H3
InChIKeyCFMHPDVKOUESCE-UHFFFAOYSA-N
XLogP2.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
8-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 21134196
ethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 143931271
1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone
CID 151473274
(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol
CID 12568263
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 91262908
8-(methylaminomethyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 165465927
8-fluoro-8-propan-2-yl-1,4-dioxaspiro[4.5]decane
CID 155319961
4,9-dioxaspiro[2.6]nonane
CID 68651979
4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile
CID 91600100
12,12-dimethyl-7,10-dioxadispiro[2.2.46.23]dodecane
CID 175914993

Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol (CID 143931263) is ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol is CC.CC1(O)CCC2(CC1)OCCO2.
What is the InChIKey of ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is CFMHPDVKOUESCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3.C2H6/c1-8(10)2-4-9(5-3-8)11-6-7-12-9;1-2/h10H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol?
ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 202.29 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 143931263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).