[(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol

C10H16O4 — CID 163895741

IUPAC[(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol
SMILESCC1(C)O[C@@H]2C(CO)OC3(CC3)[C@@H]2O1
InChIInChI=1S/C10H16O4/c1-9(2)13-7-6(5-11)12-10(3-4-10)8(7)14-9/h6-8,11H,3-5H2,1-2H3/t6?,7-,8-/m1/s1
InChIKeyQFLIKAWCLYFQFD-SPDVFEMOSA-N
MW200.23 g/mol
LogP0.43
Rot. Bonds1

About [(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol

[(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol (PubChem CID 163895741) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol.

Molecular Properties

Compound Name[(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol
PubChem CID163895741
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol
SMILESCC1(C)O[C@@H]2C(CO)OC3(CC3)[C@@H]2O1
InChIInChI=1S/C10H16O4/c1-9(2)13-7-6(5-11)12-10(3-4-10)8(7)14-9/h6-8,11H,3-5H2,1-2H3/t6?,7-,8-/m1/s1
InChIKeyQFLIKAWCLYFQFD-SPDVFEMOSA-N
XLogP0.43
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol with MolForge

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Related Compounds

(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-4-(trifluoromethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
CID 11032553
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
[(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol
CID 22887044
[(1R,2S,6R,8S,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl]methanol
CID 101334742
[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;thiohydroxylamine
CID 144515048
[2,2-dimethyl-5-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl)-1,3-dioxolan-4-yl]methanol
CID 500372
(4R,5S)-4-hydroxy-5-[(2R,3R)-2-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 70617972
[(1S,6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 70793572
[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 70795288
[(1S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 54200046
[(1R,2S,6R,8S,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 97399157
[(1S,2R,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 7057262

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol?
The IUPAC name of [(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol (CID 163895741) is [(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol.
What is the SMILES notation for [(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol?
The canonical SMILES for [(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol is CC1(C)O[C@@H]2C(CO)OC3(CC3)[C@@H]2O1.
What is the InChIKey of [(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol?
The InChIKey is QFLIKAWCLYFQFD-SPDVFEMOSA-N. The full InChI is InChI=1S/C10H16O4/c1-9(2)13-7-6(5-11)12-10(3-4-10)8(7)14-9/h6-8,11H,3-5H2,1-2H3/t6?,7-,8-/m1/s1.
What are the key properties of [(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol?
[(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol has a molecular weight of 200.23 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol is sourced from PubChem (CID 163895741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).