9-propan-2-yl-1,5-dioxaspiro[5.5]undecane

C12H22O2 — CID 6455055

IUPAC9-propan-2-yl-1,5-dioxaspiro[5.5]undecane
SMILESCC(C)C1CCC2(CC1)OCCCO2
InChIInChI=1S/C12H22O2/c1-10(2)11-4-6-12(7-5-11)13-8-3-9-14-12/h10-11H,3-9H2,1-2H3
InChIKeyZUHGTQKBVJUTBH-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.97
Rot. Bonds1

About 9-propan-2-yl-1,5-dioxaspiro[5.5]undecane

9-propan-2-yl-1,5-dioxaspiro[5.5]undecane (PubChem CID 6455055) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 9-propan-2-yl-1,5-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name9-propan-2-yl-1,5-dioxaspiro[5.5]undecane
PubChem CID6455055
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name9-propan-2-yl-1,5-dioxaspiro[5.5]undecane
SMILESCC(C)C1CCC2(CC1)OCCCO2
InChIInChI=1S/C12H22O2/c1-10(2)11-4-6-12(7-5-11)13-8-3-9-14-12/h10-11H,3-9H2,1-2H3
InChIKeyZUHGTQKBVJUTBH-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-propan-2-yl-1,5-dioxaspiro[5.5]undecane 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

N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81387414
N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81390369
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
(7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 121421967
8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane
CID 175668782
4,9-dioxaspiro[2.6]nonane
CID 68651979
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
3-propan-2-yl-8-oxaspiro[5.6]dodecane
CID 176804271
methane;propan-2-ylcyclotetradecane
CID 159882779
8-propan-2-yl-4-oxaspiro[2.5]octane
CID 176797220
propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane
CID 167674182
CID 174102089
CID 174102089

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-1,5-dioxaspiro[5.5]undecane?
The IUPAC name of 9-propan-2-yl-1,5-dioxaspiro[5.5]undecane (CID 6455055) is 9-propan-2-yl-1,5-dioxaspiro[5.5]undecane.
What is the SMILES notation for 9-propan-2-yl-1,5-dioxaspiro[5.5]undecane?
The canonical SMILES for 9-propan-2-yl-1,5-dioxaspiro[5.5]undecane is CC(C)C1CCC2(CC1)OCCCO2.
What is the InChIKey of 9-propan-2-yl-1,5-dioxaspiro[5.5]undecane?
The InChIKey is ZUHGTQKBVJUTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-10(2)11-4-6-12(7-5-11)13-8-3-9-14-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 9-propan-2-yl-1,5-dioxaspiro[5.5]undecane?
9-propan-2-yl-1,5-dioxaspiro[5.5]undecane has a molecular weight of 198.31 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-1,5-dioxaspiro[5.5]undecane is sourced from PubChem (CID 6455055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).