2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane

C13H22O3 — CID 10443702

IUPAC2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane
SMILESC1CCC(C2CCC3(CCCCO3)O2)OC1
InChIInChI=1S/C13H22O3/c1-3-9-14-11(5-1)12-6-8-13(16-12)7-2-4-10-15-13/h11-12H,1-10H2
InChIKeyKEASJOCRKLQHRL-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.63
Rot. Bonds1

About 2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane

2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane (PubChem CID 10443702) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane
PubChem CID10443702
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane
SMILESC1CCC(C2CCC3(CCCCO3)O2)OC1
InChIInChI=1S/C13H22O3/c1-3-9-14-11(5-1)12-6-8-13(16-12)7-2-4-10-15-13/h11-12H,1-10H2
InChIKeyKEASJOCRKLQHRL-UHFFFAOYSA-N
XLogP2.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
CID 89101057
(14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane
CID 135028450
1,10-dioxaspiro[4.5]decan-2-ol
CID 130129338
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
CID 23848053
[(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol
CID 13363042
(5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane]
CID 154992073
spiro[3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-2,2'-oxolane]-5-ylmethanamine
CID 144594097
(3aR,4R,6aR)-4-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]
CID 154535606
spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]
CID 172725253
[(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate
CID 46211083
2,2-dimethyl-4-[(2S)-oxolan-2-yl]-1,3-dioxolane
CID 121404200
spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]
CID 91594454

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane?
The IUPAC name of 2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane (CID 10443702) is 2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane.
What is the SMILES notation for 2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane?
The canonical SMILES for 2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane is C1CCC(C2CCC3(CCCCO3)O2)OC1.
What is the InChIKey of 2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane?
The InChIKey is KEASJOCRKLQHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-3-9-14-11(5-1)12-6-8-13(16-12)7-2-4-10-15-13/h11-12H,1-10H2.
What are the key properties of 2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane?
2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane has a molecular weight of 226.32 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane is sourced from PubChem (CID 10443702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).