4,4,6-trimethyl-2-[(Z)-prop-1-enyl]-1,3-dioxane

C10H18O2 — CID 21159519

IUPAC4,4,6-trimethyl-2-[(Z)-prop-1-enyl]-1,3-dioxane
SMILESC/C=C\C1OC(C)CC(C)(C)O1
InChIInChI=1S/C10H18O2/c1-5-6-9-11-8(2)7-10(3,4)12-9/h5-6,8-9H,7H2,1-4H3/b6-5-
InChIKeyKYIPJDJFXLVIDL-WAYWQWQTSA-N
MW170.25 g/mol
LogP2.49
Rot. Bonds1

About 4,4,6-trimethyl-2-[(Z)-prop-1-enyl]-1,3-dioxane

4,4,6-trimethyl-2-[(Z)-prop-1-enyl]-1,3-dioxane (PubChem CID 21159519) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4,4,6-trimethyl-2-[(Z)-prop-1-enyl]-1,3-dioxane.

Molecular Properties

Compound Name4,4,6-trimethyl-2-[(Z)-prop-1-enyl]-1,3-dioxane
PubChem CID21159519
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4,4,6-trimethyl-2-[(Z)-prop-1-enyl]-1,3-dioxane
SMILESC/C=C\C1OC(C)CC(C)(C)O1
InChIInChI=1S/C10H18O2/c1-5-6-9-11-8(2)7-10(3,4)12-9/h5-6,8-9H,7H2,1-4H3/b6-5-
InChIKeyKYIPJDJFXLVIDL-WAYWQWQTSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4,6-Trimethyl-2-vinyl-1,3-dioxane
CID 31448
1,3-Dioxane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4,4,6-trimethyl-
CID 6437441
4,4,6-Trimethyl-2-(1-propenyl)-1,3-dioxane
CID 5354376
5-Ethyl-2-prop-1-enyl-4-propyl-1,3-dioxane
CID 221667
1,3-Dioxane, 4-methyl-2-(2-methyl-1-propen-1-yl)-
CID 108345
Propenyl-4-methyl 1,3-dioxane
CID 221620
4,4,6-Trimethyl-2-prop-1-enyl-1,3-dioxane
CID 95419
4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane
CID 5354337
2-[(E)-but-2-en-2-yl]-4-methyl-1,3-dioxane
CID 137518982
(4R,6R)-2-ethenyl-4,6-dimethyl-1,3-dioxane
CID 11819170
(4R,6R)-4,6-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxane
CID 13719312
2-Vinyl-4,4,6,6-tetramethyl-1,3-dioxane
CID 102249059

Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-2-[(Z)-prop-1-enyl]-1,3-dioxane?
The IUPAC name of 4,4,6-trimethyl-2-[(Z)-prop-1-enyl]-1,3-dioxane (CID 21159519) is 4,4,6-trimethyl-2-[(Z)-prop-1-enyl]-1,3-dioxane.
What is the SMILES notation for 4,4,6-trimethyl-2-[(Z)-prop-1-enyl]-1,3-dioxane?
The canonical SMILES for 4,4,6-trimethyl-2-[(Z)-prop-1-enyl]-1,3-dioxane is C/C=C\C1OC(C)CC(C)(C)O1.
What is the InChIKey of 4,4,6-trimethyl-2-[(Z)-prop-1-enyl]-1,3-dioxane?
The InChIKey is KYIPJDJFXLVIDL-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-6-9-11-8(2)7-10(3,4)12-9/h5-6,8-9H,7H2,1-4H3/b6-5-.
What are the key properties of 4,4,6-trimethyl-2-[(Z)-prop-1-enyl]-1,3-dioxane?
4,4,6-trimethyl-2-[(Z)-prop-1-enyl]-1,3-dioxane has a molecular weight of 170.25 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-2-[(Z)-prop-1-enyl]-1,3-dioxane is sourced from PubChem (CID 21159519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).