2-phenyl-2-propan-2-yl-1,3-dioxane

C13H18O2 — CID 89439443

IUPAC2-phenyl-2-propan-2-yl-1,3-dioxane
SMILESCC(C)C1(c2ccccc2)OCCCO1
InChIInChI=1S/C13H18O2/c1-11(2)13(14-9-6-10-15-13)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKeySLUOOQFBKOLMKE-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.93
Rot. Bonds2

About 2-phenyl-2-propan-2-yl-1,3-dioxane

2-phenyl-2-propan-2-yl-1,3-dioxane (PubChem CID 89439443) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-phenyl-2-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name2-phenyl-2-propan-2-yl-1,3-dioxane
PubChem CID89439443
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-phenyl-2-propan-2-yl-1,3-dioxane
SMILESCC(C)C1(c2ccccc2)OCCCO1
InChIInChI=1S/C13H18O2/c1-11(2)13(14-9-6-10-15-13)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKeySLUOOQFBKOLMKE-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzaldehyde dimethyl acetal
CID 62375
Benzyl butyl ether
CID 61134
1-Phenylethyl 2-methylpropanoate
CID 569214
(Diethoxymethyl)benzene
CID 69884
1,3-Dioxan-5-ol, 2-phenyl-
CID 74362
Benzyl octyl ether
CID 347508
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
1,3-Dioxane, 4,4,6-trimethyl-2-(phenylmethyl)-
CID 95266
Bis(1-phenylethyl) ether
CID 62342
Isoamyl benzyl ether
CID 31227
2,5,5-Trimethyl-2-phenyl-1,3-dioxane
CID 79409
4-Phenyl-1,3-dioxane
CID 92840

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-propan-2-yl-1,3-dioxane?
The IUPAC name of 2-phenyl-2-propan-2-yl-1,3-dioxane (CID 89439443) is 2-phenyl-2-propan-2-yl-1,3-dioxane.
What is the SMILES notation for 2-phenyl-2-propan-2-yl-1,3-dioxane?
The canonical SMILES for 2-phenyl-2-propan-2-yl-1,3-dioxane is CC(C)C1(c2ccccc2)OCCCO1.
What is the InChIKey of 2-phenyl-2-propan-2-yl-1,3-dioxane?
The InChIKey is SLUOOQFBKOLMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-11(2)13(14-9-6-10-15-13)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3.
What are the key properties of 2-phenyl-2-propan-2-yl-1,3-dioxane?
2-phenyl-2-propan-2-yl-1,3-dioxane has a molecular weight of 206.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 89439443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).