[(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol

C9H16O4 — CID 143157562

IUPAC[(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
SMILESCC1(C)O[C@@H]2C(CO)OC[C@]2(C)O1
InChIInChI=1S/C9H16O4/c1-8(2)12-7-6(4-10)11-5-9(7,3)13-8/h6-7,10H,4-5H2,1-3H3/t6?,7-,9+/m1/s1
InChIKeyJVNCHUCMRDXUDQ-HEWOVZETSA-N
MW188.22 g/mol
LogP0.29
Rot. Bonds1

About [(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol

[(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol (PubChem CID 143157562) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is [(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol.

Molecular Properties

Compound Name[(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
PubChem CID143157562
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name[(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
SMILESCC1(C)O[C@@H]2C(CO)OC[C@]2(C)O1
InChIInChI=1S/C9H16O4/c1-8(2)12-7-6(4-10)11-5-9(7,3)13-8/h6-7,10H,4-5H2,1-3H3/t6?,7-,9+/m1/s1
InChIKeyJVNCHUCMRDXUDQ-HEWOVZETSA-N
XLogP0.29
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol with MolForge

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Related Compounds

(3aS,6S,7S,7aR)-2,2,3a,7-tetramethyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-ol
CID 139076165
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
(3aS,5S,6aR)-3a,5-bis(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol
CID 45039611
1-[(3aS,6aR)-6-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]-4H-pyridine-3-carboxamide
CID 134557610
[(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol
CID 163895741
(2R,3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91038054
(3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91418847
[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
CID 71229435
(2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 150843883
[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
[(1R,2R,6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-2-yl]methanol
CID 51406943
[(1R,2R,6R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-2-yl]methanol
CID 51406942

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol?
The IUPAC name of [(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol (CID 143157562) is [(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol.
What is the SMILES notation for [(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol?
The canonical SMILES for [(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol is CC1(C)O[C@@H]2C(CO)OC[C@]2(C)O1.
What is the InChIKey of [(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol?
The InChIKey is JVNCHUCMRDXUDQ-HEWOVZETSA-N. The full InChI is InChI=1S/C9H16O4/c1-8(2)12-7-6(4-10)11-5-9(7,3)13-8/h6-7,10H,4-5H2,1-3H3/t6?,7-,9+/m1/s1.
What are the key properties of [(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol?
[(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol has a molecular weight of 188.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol is sourced from PubChem (CID 143157562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).