(2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dioxolane

C10H20O2 — CID 134947588

IUPAC(2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dioxolane
SMILESCCC(CC)[C@H]1OCC(C)(C)O1
InChIInChI=1S/C10H20O2/c1-5-8(6-2)9-11-7-10(3,4)12-9/h8-9H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyVIFOESUKSFOEMM-VIFPVBQESA-N
MW172.27 g/mol
LogP2.57
Rot. Bonds3

About (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dioxolane

(2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dioxolane (PubChem CID 134947588) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dioxolane.

Molecular Properties

Compound Name(2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dioxolane
PubChem CID134947588
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dioxolane
SMILESCCC(CC)[C@H]1OCC(C)(C)O1
InChIInChI=1S/C10H20O2/c1-5-8(6-2)9-11-7-10(3,4)12-9/h8-9H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyVIFOESUKSFOEMM-VIFPVBQESA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-4,4-dimethyl-2-pentan-3-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

2-[3-(1-hydroxybutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-ol
CID 70009359
5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane
CID 20509704
2-pentan-3-yloxirane
CID 22563957
6-butan-2-yl-5,7-dioxaspiro[2.5]octane
CID 143310520
2,2-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane
CID 59773868
4-(2,4-diethyloctyl)-2-(5,7-diethylundecan-3-yl)-4-ethyl-1,3-dioxolane
CID 140856842
6-iodo-2,2,5-trimethyl-1,4-dioxane
CID 174262988
5-ethoxy-2,2-dimethyl-1,4-dioxane
CID 12732955
(5-carboxyoxy-2-heptan-3-yl-1,3-dioxan-5-yl) hydrogen carbonate
CID 23199352
pentan-3-ylcyclopropane
CID 19042038
2-heptan-3-yl-1,3-dioxepane
CID 71392815
5-methyl-2-[(E,2S)-pent-3-en-2-yl]-5-propyl-1,3-dioxane
CID 15405725

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dioxolane?
The IUPAC name of (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dioxolane (CID 134947588) is (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dioxolane.
What is the SMILES notation for (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dioxolane?
The canonical SMILES for (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dioxolane is CCC(CC)[C@H]1OCC(C)(C)O1.
What is the InChIKey of (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dioxolane?
The InChIKey is VIFOESUKSFOEMM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20O2/c1-5-8(6-2)9-11-7-10(3,4)12-9/h8-9H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dioxolane?
(2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dioxolane has a molecular weight of 172.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dioxolane is sourced from PubChem (CID 134947588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).