(5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane]

C12H20O3 — CID 154992073

IUPAC(5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane]
SMILESC[C@H]1C[C@@]2(CCCCO2)OC2CCOC21
InChIInChI=1S/C12H20O3/c1-9-8-12(5-2-3-6-14-12)15-10-4-7-13-11(9)10/h9-11H,2-8H2,1H3/t9-,10?,11?,12+/m0/s1
InChIKeyBUNDSPIQFUWGCY-WNYYMSAVSA-N
MW212.29 g/mol
LogP2.10
Rot. Bonds

About (5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane]

(5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane] (PubChem CID 154992073) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane].

Molecular Properties

Compound Name(5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane]
PubChem CID154992073
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane]
SMILESC[C@H]1C[C@@]2(CCCCO2)OC2CCOC21
InChIInChI=1S/C12H20O3/c1-9-8-12(5-2-3-6-14-12)15-10-4-7-13-11(9)10/h9-11H,2-8H2,1H3/t9-,10?,11?,12+/m0/s1
InChIKeyBUNDSPIQFUWGCY-WNYYMSAVSA-N
XLogP2.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane] with MolForge

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Related Compounds

(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
2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane
CID 10443702
(3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 118370032
spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]
CID 172725253
(6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 139254042
acetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 168912947
(3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
CID 89101057
1,10-dioxaspiro[4.5]decan-2-ol
CID 130129338
(3aS,4R,7aR)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 171557152
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane
CID 91407025
(3S)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2-dimethyl-1,2-oxazolidin-2-ium
CID 139206681

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane]?
The IUPAC name of (5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane] (CID 154992073) is (5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane].
What is the SMILES notation for (5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane]?
The canonical SMILES for (5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane] is C[C@H]1C[C@@]2(CCCCO2)OC2CCOC21.
What is the InChIKey of (5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane]?
The InChIKey is BUNDSPIQFUWGCY-WNYYMSAVSA-N. The full InChI is InChI=1S/C12H20O3/c1-9-8-12(5-2-3-6-14-12)15-10-4-7-13-11(9)10/h9-11H,2-8H2,1H3/t9-,10?,11?,12+/m0/s1.
What are the key properties of (5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane]?
(5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane] has a molecular weight of 212.29 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane] is sourced from PubChem (CID 154992073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).