(4S)-4-methyl-1,3-dioxane

C5H10O2 — CID 6950135

IUPAC(4S)-4-methyl-1,3-dioxane
SMILESC[C@H]1CCOCO1
InChIInChI=1S/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyINCCMBMMWVKEGJ-YFKPBYRVSA-N
MW102.13 g/mol
LogP0.77
Rot. Bonds

About (4S)-4-methyl-1,3-dioxane

(4S)-4-methyl-1,3-dioxane (PubChem CID 6950135) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is (4S)-4-methyl-1,3-dioxane.

Molecular Properties

Compound Name(4S)-4-methyl-1,3-dioxane
PubChem CID6950135
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name(4S)-4-methyl-1,3-dioxane
SMILESC[C@H]1CCOCO1
InChIInChI=1S/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyINCCMBMMWVKEGJ-YFKPBYRVSA-N
XLogP0.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxane
CID 10450
4-Methyl-1,3-dioxane
CID 14269
4,4-Dimethyl-1,3-dioxane
CID 13008
1,3-Dioxane, 2,4-dimethyl-
CID 13009
2,2-Dimethyl-1,3-dioxane
CID 39902
2-Methoxy-1,3-dioxane
CID 342234
2,2,4-Trimethyl-1,3-dioxane
CID 136525
2-Ethyl-2-methyl-1,3-dioxane
CID 11789239
2-Ethyl-2,4-dimethyl-1,3-dioxane
CID 252936
1,3-Dioxane, 4-methyl-2-propyl-
CID 95403
Methane, methoxy-isopropoxy
CID 524896
4,5-Dimethyl-1,3-dioxane
CID 136888

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-1,3-dioxane?
The IUPAC name of (4S)-4-methyl-1,3-dioxane (CID 6950135) is (4S)-4-methyl-1,3-dioxane.
What is the SMILES notation for (4S)-4-methyl-1,3-dioxane?
The canonical SMILES for (4S)-4-methyl-1,3-dioxane is C[C@H]1CCOCO1.
What is the InChIKey of (4S)-4-methyl-1,3-dioxane?
The InChIKey is INCCMBMMWVKEGJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (4S)-4-methyl-1,3-dioxane?
(4S)-4-methyl-1,3-dioxane has a molecular weight of 102.13 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-1,3-dioxane is sourced from PubChem (CID 6950135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).