(4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane

C9H18O2 — CID 23266361

IUPAC(4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane
SMILESCC(C)[C@@H]1OCO[C@H]1C(C)C
InChIInChI=1S/C9H18O2/c1-6(2)8-9(7(3)4)11-5-10-8/h6-9H,5H2,1-4H3/t8-,9-/m0/s1
InChIKeyXEKWWMZZEZZTIN-IUCAKERBSA-N
MW158.24 g/mol
LogP2.04
Rot. Bonds2

About (4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane

(4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane (PubChem CID 23266361) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane
PubChem CID23266361
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane
SMILESCC(C)[C@@H]1OCO[C@H]1C(C)C
InChIInChI=1S/C9H18O2/c1-6(2)8-9(7(3)4)11-5-10-8/h6-9H,5H2,1-4H3/t8-,9-/m0/s1
InChIKeyXEKWWMZZEZZTIN-IUCAKERBSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-propan-2-yl-1,3-dioxolane-4-thiol
CID 147684121
4-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 123658879
4-tert-butyl-5-(3-methylbutan-2-yl)-1,3-dioxolane
CID 163520242
(2S,3R)-3-methyl-2-propan-2-yloxane
CID 121477247
(2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane
CID 162111280
(2R,3R)-3-methyl-2-propan-2-yloxane
CID 121477252
(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane
CID 130441371
2-propan-2-yloxane-3,4-diol
CID 70217654
3,4,5-tri(propan-2-yl)-1,3-oxazolidine
CID 166020225
4-butan-2-yl-5-ethenyl-1,3-dioxolane;ethene
CID 143329167
(4R,5S)-4,5-dimethyl-1,3-dioxolane
CID 13085378
(2R,3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol
CID 89491478

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane?
The IUPAC name of (4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane (CID 23266361) is (4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane?
The canonical SMILES for (4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane is CC(C)[C@@H]1OCO[C@H]1C(C)C.
What is the InChIKey of (4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane?
The InChIKey is XEKWWMZZEZZTIN-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18O2/c1-6(2)8-9(7(3)4)11-5-10-8/h6-9H,5H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of (4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane?
(4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane has a molecular weight of 158.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 23266361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).