4-tert-butyl-2,2-dimethyl-5-(3-methylbutan-2-yl)-1,3-dioxolane

C14H28O2 — CID 167095514

IUPAC4-tert-butyl-2,2-dimethyl-5-(3-methylbutan-2-yl)-1,3-dioxolane
SMILESCC(C)C(C)C1OC(C)(C)OC1C(C)(C)C
InChIInChI=1S/C14H28O2/c1-9(2)10(3)11-12(13(4,5)6)16-14(7,8)15-11/h9-12H,1-8H3
InChIKeyZRUCTMKPGTXTHD-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.84
Rot. Bonds2

About 4-tert-butyl-2,2-dimethyl-5-(3-methylbutan-2-yl)-1,3-dioxolane

4-tert-butyl-2,2-dimethyl-5-(3-methylbutan-2-yl)-1,3-dioxolane (PubChem CID 167095514) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-tert-butyl-2,2-dimethyl-5-(3-methylbutan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name4-tert-butyl-2,2-dimethyl-5-(3-methylbutan-2-yl)-1,3-dioxolane
PubChem CID167095514
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name4-tert-butyl-2,2-dimethyl-5-(3-methylbutan-2-yl)-1,3-dioxolane
SMILESCC(C)C(C)C1OC(C)(C)OC1C(C)(C)C
InChIInChI=1S/C14H28O2/c1-9(2)10(3)11-12(13(4,5)6)16-14(7,8)15-11/h9-12H,1-8H3
InChIKeyZRUCTMKPGTXTHD-UHFFFAOYSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis((4S,5R)-4,5-ditert-butyl-2,2-dimethyl-1,3-dioxolane);(4R,5R)-4,5-ditert-butyl-2,2-dimethyl-1,3-dioxolane;(4S,5S)-4,5-ditert-butyl-2,2-dimethyl-1,3-dioxolane;methane
CID 157204706
4-tert-butyl-5-(3-methylbutan-2-yl)-1,3-dioxolane
CID 163520242
(1R)-1-[(4R,5R)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
CID 11170697
(2R)-2-[(4S,5S,6R)-6-[(2R,4R)-4-[(4S,5S,6R)-6-[(2R,3R)-2,3-dihydroxypentan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-2-hydroxypentan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid
CID 134872540
2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane
CID 140637445
(4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane
CID 135057215
2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 70675864
[(4S,5S)-5-[di(propan-2-yl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(propan-2-yl)phosphane
CID 162488538
(1R)-1-[(4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 6541365
(1S)-1-[(4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 688134
[(1R)-1-[(4S,5R)-2,2-dimethyl-5-sulfanyl-1,3-dioxolan-4-yl]ethyl] methanesulfonate
CID 150278765
(4S,5S,6S)-2,2,5-trimethyl-4-(2-methyl-1-phenylmethoxypropan-2-yl)-6-[(2R)-pent-4-en-2-yl]-1,3-dioxane
CID 101089779

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,2-dimethyl-5-(3-methylbutan-2-yl)-1,3-dioxolane?
The IUPAC name of 4-tert-butyl-2,2-dimethyl-5-(3-methylbutan-2-yl)-1,3-dioxolane (CID 167095514) is 4-tert-butyl-2,2-dimethyl-5-(3-methylbutan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 4-tert-butyl-2,2-dimethyl-5-(3-methylbutan-2-yl)-1,3-dioxolane?
The canonical SMILES for 4-tert-butyl-2,2-dimethyl-5-(3-methylbutan-2-yl)-1,3-dioxolane is CC(C)C(C)C1OC(C)(C)OC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2,2-dimethyl-5-(3-methylbutan-2-yl)-1,3-dioxolane?
The InChIKey is ZRUCTMKPGTXTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-9(2)10(3)11-12(13(4,5)6)16-14(7,8)15-11/h9-12H,1-8H3.
What are the key properties of 4-tert-butyl-2,2-dimethyl-5-(3-methylbutan-2-yl)-1,3-dioxolane?
4-tert-butyl-2,2-dimethyl-5-(3-methylbutan-2-yl)-1,3-dioxolane has a molecular weight of 228.38 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,2-dimethyl-5-(3-methylbutan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 167095514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).