(4S,5S)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane

C10H20O2 — CID 52951883

IUPAC(4S,5S)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane
SMILESCCC(C)C1O[C@@H](C)[C@H](CC)O1
InChIInChI=1S/C10H20O2/c1-5-7(3)10-11-8(4)9(6-2)12-10/h7-10H,5-6H2,1-4H3/t7?,8-,9-,10?/m0/s1
InChIKeyZMRVRZCZVOKDTI-ZNHWEVIXSA-N
MW172.27 g/mol
LogP2.57
Rot. Bonds3

About (4S,5S)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane

(4S,5S)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane (PubChem CID 52951883) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (4S,5S)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane
PubChem CID52951883
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(4S,5S)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane
SMILESCCC(C)C1O[C@@H](C)[C@H](CC)O1
InChIInChI=1S/C10H20O2/c1-5-7(3)10-11-8(4)9(6-2)12-10/h7-10H,5-6H2,1-4H3/t7?,8-,9-,10?/m0/s1
InChIKeyZMRVRZCZVOKDTI-ZNHWEVIXSA-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 (4S,5S)-2-butan-2-yl-4-ethyl-5-methyl-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

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane?
The IUPAC name of (4S,5S)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane (CID 52951883) is (4S,5S)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane?
The canonical SMILES for (4S,5S)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane is CCC(C)C1O[C@@H](C)[C@H](CC)O1.
What is the InChIKey of (4S,5S)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane?
The InChIKey is ZMRVRZCZVOKDTI-ZNHWEVIXSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-7(3)10-11-8(4)9(6-2)12-10/h7-10H,5-6H2,1-4H3/t7?,8-,9-,10?/m0/s1.
What are the key properties of (4S,5S)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane?
(4S,5S)-2-butan-2-yl-4-ethyl-5-methyl-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 (4S,5S)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane is sourced from PubChem (CID 52951883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).