5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane

C16H24O3 — CID 18977333

IUPAC5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane
SMILESCC(C)C1OCC(C)(COCc2ccccc2)CO1
InChIInChI=1S/C16H24O3/c1-13(2)15-18-11-16(3,12-19-15)10-17-9-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3
InChIKeyHCTWBZVRJVCUHH-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.24
Rot. Bonds5

About 5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane

5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane (PubChem CID 18977333) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane
PubChem CID18977333
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane
SMILESCC(C)C1OCC(C)(COCc2ccccc2)CO1
InChIInChI=1S/C16H24O3/c1-13(2)15-18-11-16(3,12-19-15)10-17-9-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3
InChIKeyHCTWBZVRJVCUHH-UHFFFAOYSA-N
XLogP3.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol
CID 15450619
5-methyl-5-(phenylmethoxymethyl)-1,3-dioxane-2-thione
CID 101226498
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
5,5-dimethyl-2-(1-phenylmethoxyethyl)-1,3-dioxane
CID 67722972
3-methyl-3-[(4-phenylphenyl)methoxymethyl]-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 102072347
[(2S,3R)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 121000774
5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane
CID 20536213
3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
CID 102940532
(3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate
CID 164728573
5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 172801831
1-benzyl-2-[5-methyl-5-(2-phenylmethoxyethoxymethyl)-1,3-dioxan-2-yl]-4,5-diphenylimidazole
CID 67908651

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane?
The IUPAC name of 5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane (CID 18977333) is 5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane.
What is the SMILES notation for 5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane?
The canonical SMILES for 5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane is CC(C)C1OCC(C)(COCc2ccccc2)CO1.
What is the InChIKey of 5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane?
The InChIKey is HCTWBZVRJVCUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-13(2)15-18-11-16(3,12-19-15)10-17-9-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3.
What are the key properties of 5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane?
5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane has a molecular weight of 264.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 18977333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).