(4S,5S)-2,2,4-triethyl-5-methyl-1,3-dioxolane

C10H20O2 — CID 50922812

IUPAC(4S,5S)-2,2,4-triethyl-5-methyl-1,3-dioxolane
SMILESCC[C@@H]1OC(CC)(CC)O[C@H]1C
InChIInChI=1S/C10H20O2/c1-5-9-8(4)11-10(6-2,7-3)12-9/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyYGCDEVNIIFDSNC-IUCAKERBSA-N
MW172.27 g/mol
LogP2.72
Rot. Bonds3

About (4S,5S)-2,2,4-triethyl-5-methyl-1,3-dioxolane

(4S,5S)-2,2,4-triethyl-5-methyl-1,3-dioxolane (PubChem CID 50922812) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (4S,5S)-2,2,4-triethyl-5-methyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-2,2,4-triethyl-5-methyl-1,3-dioxolane
PubChem CID50922812
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(4S,5S)-2,2,4-triethyl-5-methyl-1,3-dioxolane
SMILESCC[C@@H]1OC(CC)(CC)O[C@H]1C
InChIInChI=1S/C10H20O2/c1-5-9-8(4)11-10(6-2,7-3)12-9/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyYGCDEVNIIFDSNC-IUCAKERBSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2,2,4-triethyl-5-methyl-1,3-dioxolane?
The IUPAC name of (4S,5S)-2,2,4-triethyl-5-methyl-1,3-dioxolane (CID 50922812) is (4S,5S)-2,2,4-triethyl-5-methyl-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-2,2,4-triethyl-5-methyl-1,3-dioxolane?
The canonical SMILES for (4S,5S)-2,2,4-triethyl-5-methyl-1,3-dioxolane is CC[C@@H]1OC(CC)(CC)O[C@H]1C.
What is the InChIKey of (4S,5S)-2,2,4-triethyl-5-methyl-1,3-dioxolane?
The InChIKey is YGCDEVNIIFDSNC-IUCAKERBSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-9-8(4)11-10(6-2,7-3)12-9/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of (4S,5S)-2,2,4-triethyl-5-methyl-1,3-dioxolane?
(4S,5S)-2,2,4-triethyl-5-methyl-1,3-dioxolane has a molecular weight of 172.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2,2,4-triethyl-5-methyl-1,3-dioxolane is sourced from PubChem (CID 50922812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).