[(6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;ethane;ethanol;methane

C13H30O5 — CID 143329175

IUPAC[(6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;ethane;ethanol;methane
SMILESC.CC.CC1(C)OC2C(CO)OC[C@H]2O1.CCO
InChIInChI=1S/C8H14O4.C2H6O.C2H6.CH4/c1-8(2)11-6-4-10-5(3-9)7(6)12-8;1-2-3;1-2;/h5-7,9H,3-4H2,1-2H3;3H,2H2,1H3;1-2H3;1H4/t5?,6-,7?;;;/m1.../s1
InChIKeyUYEWZDJJWNUEJN-LJRPVOTKSA-N
MW266.38 g/mol
LogP1.56
Rot. Bonds1

About [(6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;ethane;ethanol;methane

[(6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;ethane;ethanol;methane (PubChem CID 143329175) has the molecular formula C13H30O5 and a molecular weight of 266.38 g/mol. Its IUPAC name is [(6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;ethane;ethanol;methane.

Molecular Properties

Compound Name[(6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;ethane;ethanol;methane
PubChem CID143329175
Molecular FormulaC13H30O5
Molecular Weight266.38 g/mol
Exact Mass266.21
IUPAC Name[(6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;ethane;ethanol;methane
SMILESC.CC.CC1(C)OC2C(CO)OC[C@H]2O1.CCO
InChIInChI=1S/C8H14O4.C2H6O.C2H6.CH4/c1-8(2)11-6-4-10-5(3-9)7(6)12-8;1-2-3;1-2;/h5-7,9H,3-4H2,1-2H3;3H,2H2,1H3;1-2H3;1H4/t5?,6-,7?;;;/m1.../s1
InChIKeyUYEWZDJJWNUEJN-LJRPVOTKSA-N
XLogP1.56
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 90830848
spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ylmethanol
CID 91184436
[(3aR,4R,7S,7aR)-4-(hydroxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamic acid
CID 174220042
(3aS,4R,6aS)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 7577064
(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methylimino-iminoazanium
CID 6332686
(1R)-1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethanol
CID 12039524
[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
(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 134854494
2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 59119744
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
N-[[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 14055190
(1R,2S,6S,9R)-4-(iodomethyl)-4,11,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 126487744

Frequently Asked Questions

What is the IUPAC name of [(6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;ethane;ethanol;methane?
The IUPAC name of [(6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;ethane;ethanol;methane (CID 143329175) is [(6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;ethane;ethanol;methane.
What is the SMILES notation for [(6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;ethane;ethanol;methane?
The canonical SMILES for [(6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;ethane;ethanol;methane is C.CC.CC1(C)OC2C(CO)OC[C@H]2O1.CCO.
What is the InChIKey of [(6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;ethane;ethanol;methane?
The InChIKey is UYEWZDJJWNUEJN-LJRPVOTKSA-N. The full InChI is InChI=1S/C8H14O4.C2H6O.C2H6.CH4/c1-8(2)11-6-4-10-5(3-9)7(6)12-8;1-2-3;1-2;/h5-7,9H,3-4H2,1-2H3;3H,2H2,1H3;1-2H3;1H4/t5?,6-,7?;;;/m1.../s1.
What are the key properties of [(6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;ethane;ethanol;methane?
[(6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;ethane;ethanol;methane has a molecular weight of 266.38 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;ethane;ethanol;methane is sourced from PubChem (CID 143329175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).