spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol

C11H18O4 — CID 91184436

IUPACspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol
SMILESOCC1OCC2OC3(CCCCC3)OC12
InChIInChI=1S/C11H18O4/c12-6-8-10-9(7-13-8)14-11(15-10)4-2-1-3-5-11/h8-10,12H,1-7H2
InChIKeyMVGQKFNELWQDHC-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.82
Rot. Bonds1

About spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol

spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol (PubChem CID 91184436) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol.

Molecular Properties

Compound Namespiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol
PubChem CID91184436
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namespiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol
SMILESOCC1OCC2OC3(CCCCC3)OC12
InChIInChI=1S/C11H18O4/c12-6-8-10-9(7-13-8)14-11(15-10)4-2-1-3-5-11/h8-10,12H,1-7H2
InChIKeyMVGQKFNELWQDHC-UHFFFAOYSA-N
XLogP0.82
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol with MolForge

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Related Compounds

Glucofuranose, 1,2-O-isopropylidene-, alpha-D-
CID 219905
(1,4-Dioxaspiro(4.5)decan-2-yl)methanol
CID 20128
1,2-O-Isopropylidene-alpha-D-glucofuranose
CID 87704
beta-D-fructofuranosyl-(2,1)-beta-D-fructofuranose
CID 439552
1,2:5,6-di-O-isopropylidene-D-mannitol
CID 96011
(1S)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 11806201
1-O-beta-D-fructo-furanosyl-D-fructose
CID 46173716
1,2:5,6-di-O-isopropylidene-D-glucitol
CID 103823
alpha-L-Sorbofuranose, 2,3:4,6-bis-o-(1-methylethylidene)-
CID 140270
alpha-L-Sorbofuranose, 2,3-O-(1-methylethylidene)-
CID 87233
Bis-D-fructose 2',1:2,1'-dianhydride
CID 11782294
L-Sorbofuranose, 2,3:4,6-bis-O-(1-methylethylidene)-
CID 158988

Frequently Asked Questions

What is the IUPAC name of spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol?
The IUPAC name of spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol (CID 91184436) is spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol.
What is the SMILES notation for spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol?
The canonical SMILES for spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol is OCC1OCC2OC3(CCCCC3)OC12.
What is the InChIKey of spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol?
The InChIKey is MVGQKFNELWQDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c12-6-8-10-9(7-13-8)14-11(15-10)4-2-1-3-5-11/h8-10,12H,1-7H2.
What are the key properties of spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol?
spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol has a molecular weight of 214.26 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol is sourced from PubChem (CID 91184436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).