(2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one

C10H18O3 — CID 91701869

IUPAC(2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one
SMILESCC(C)[C@H]1O[C@@H](C(C)(C)C)OC1=O
InChIInChI=1S/C10H18O3/c1-6(2)7-8(11)13-9(12-7)10(3,4)5/h6-7,9H,1-5H3/t7-,9-/m1/s1
InChIKeyDIUPQZZJBTXSAD-VXNVDRBHSA-N
MW186.25 g/mol
LogP1.96
Rot. Bonds1

About (2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one

(2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one (PubChem CID 91701869) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one
PubChem CID91701869
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one
SMILESCC(C)[C@H]1O[C@@H](C(C)(C)C)OC1=O
InChIInChI=1S/C10H18O3/c1-6(2)7-8(11)13-9(12-7)10(3,4)5/h6-7,9H,1-5H3/t7-,9-/m1/s1
InChIKeyDIUPQZZJBTXSAD-VXNVDRBHSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

2-[(2S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]-3-phenylpropanoyl fluoride
CID 177478301
(2R,5R,6R)-2-tert-butyl-5-[(1S)-1-hydroxypropyl]-6-methyl-1,3-dioxan-4-one
CID 14739200
(2R)-2-[(2R,4R)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]-4-phenylmethoxybutanoic acid
CID 25178871
(2R,5Z,6R)-2-tert-butyl-6-methyl-5-(2-methylpropylidene)-1,3-dioxan-4-one
CID 100924143
(2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-4-one
CID 123213650
2-tert-butyl-5,5,6-trimethyl-1,3-dioxan-4-one
CID 550947
4,5,6-tritert-butyl-3-propan-2-yloxan-2-one
CID 130271508
(2R,4R,6R)-6-tert-butyl-1,2,4-trimethyl-5,7-dioxaspiro[2.5]octan-8-one
CID 15362390
(2R,5R,6R)-2-tert-butyl-6-methyl-5-[(1S)-1-phenylbutyl]-1,3-dioxan-4-one
CID 14739252
(4R,5S)-4-tert-butyl-5-propan-2-yl-1,3-dioxolan-2-one
CID 135210558
(2R,5S,6R)-2-tert-butyl-6-methyl-5-(3-trimethylsilylbuta-1,2-dienyl)-1,3-dioxan-4-one
CID 134983316
(2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one
CID 15362395

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one?
The IUPAC name of (2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one (CID 91701869) is (2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one.
What is the SMILES notation for (2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one?
The canonical SMILES for (2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one is CC(C)[C@H]1O[C@@H](C(C)(C)C)OC1=O.
What is the InChIKey of (2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one?
The InChIKey is DIUPQZZJBTXSAD-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H18O3/c1-6(2)7-8(11)13-9(12-7)10(3,4)5/h6-7,9H,1-5H3/t7-,9-/m1/s1.
What are the key properties of (2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one?
(2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one has a molecular weight of 186.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one is sourced from PubChem (CID 91701869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).