(4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxane

C10H18O2 — CID 10855928

IUPAC(4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxane
SMILESC=C[C@@H]1C[C@H](C(C)(C)C)OCO1
InChIInChI=1S/C10H18O2/c1-5-8-6-9(10(2,3)4)12-7-11-8/h5,8-9H,1,6-7H2,2-4H3/t8-,9-/m1/s1
InChIKeyOFPIKGWGTJPDPK-RKDXNWHRSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds1

About (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxane

(4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxane (PubChem CID 10855928) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxane.

Molecular Properties

Compound Name(4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxane
PubChem CID10855928
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxane
SMILESC=C[C@@H]1C[C@H](C(C)(C)C)OCO1
InChIInChI=1S/C10H18O2/c1-5-8-6-9(10(2,3)4)12-7-11-8/h5,8-9H,1,6-7H2,2-4H3/t8-,9-/m1/s1
InChIKeyOFPIKGWGTJPDPK-RKDXNWHRSA-N
XLogP2.35
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 ≤ 52.35
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

5,5-Dimethyl-4-vinyl-1,3-dioxane
CID 129721824
4-Tert-butyl-6-ethenyl-1,3-dioxan-2-one
CID 13868629
5-Methyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 20307642
2-Ethenyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane
CID 70499490
2-Ethenyl-2,5,5-trimethyl-4-(propan-2-yl)-1,3-dioxane
CID 71328386
2-(4,4-Dimethyloct-1-en-3-yloxy)oxane
CID 139643960
4,5-Bis(ethenyl)-5-methyl-1,3-dioxane;ethane
CID 143403716
4,5-Bis(ethenyl)-2-pentyl-1,3-dioxane
CID 174949620
(4R,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane
CID 10943699
(4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane
CID 10943700
(4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one
CID 11084541
2,2,5,5-Tetramethyl-4-prop-2-enyl-1,3-dioxane
CID 46919561

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxane?
The IUPAC name of (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxane (CID 10855928) is (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxane.
What is the SMILES notation for (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxane?
The canonical SMILES for (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxane is C=C[C@@H]1C[C@H](C(C)(C)C)OCO1.
What is the InChIKey of (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxane?
The InChIKey is OFPIKGWGTJPDPK-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-8-6-9(10(2,3)4)12-7-11-8/h5,8-9H,1,6-7H2,2-4H3/t8-,9-/m1/s1.
What are the key properties of (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxane?
(4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxane is sourced from PubChem (CID 10855928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).