7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol

C8H14O4 — CID 102221158

IUPAC7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol
SMILESCC1(O)COC2COCOC2C1
InChIInChI=1S/C8H14O4/c1-8(9)2-6-7(11-4-8)3-10-5-12-6/h6-7,9H,2-5H2,1H3
InChIKeyNVYYGSHZICMCLI-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.10
Rot. Bonds

About 7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol

7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol (PubChem CID 102221158) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol.

Molecular Properties

Compound Name7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol
PubChem CID102221158
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol
SMILESCC1(O)COC2COCOC2C1
InChIInChI=1S/C8H14O4/c1-8(9)2-6-7(11-4-8)3-10-5-12-6/h6-7,9H,2-5H2,1H3
InChIKeyNVYYGSHZICMCLI-UHFFFAOYSA-N
XLogP-0.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol with MolForge

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Related Compounds

(4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 13133853
(2S,4R,5R)-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxane-2,5-diol
CID 153198364
[3-(1,3-dioxolan-4-yl)-2,2-dimethylcyclopropyl]methanol
CID 118513585
(5R)-3,5-dimethyloxan-3-ol
CID 134289610
(5S)-3,5-dimethyloxan-3-ol;ethane
CID 177212891
2-(1,3-dioxolan-4-yl)-1-methylcyclopropane-1-sulfonamide
CID 71078472
[(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol
CID 130978557
(4aR,6S,7R,8R,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 126761370
methane;4-methyl-1,3-dioxolane;dihydrochloride
CID 174714433
4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
CID 73042620
4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol
CID 102221162
(4S,5S)-4-hydroxy-5-[(4R,5S)-5-hydroxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 70543387

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol?
The IUPAC name of 7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol (CID 102221158) is 7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol.
What is the SMILES notation for 7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol?
The canonical SMILES for 7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol is CC1(O)COC2COCOC2C1.
What is the InChIKey of 7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol?
The InChIKey is NVYYGSHZICMCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-8(9)2-6-7(11-4-8)3-10-5-12-6/h6-7,9H,2-5H2,1H3.
What are the key properties of 7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol?
7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol has a molecular weight of 174.20 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol is sourced from PubChem (CID 102221158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).