(4R,5S)-4-butyl-2,2-diethyl-5-methyl-1,3-dioxolane

C12H24O2 — CID 134883022

IUPAC(4R,5S)-4-butyl-2,2-diethyl-5-methyl-1,3-dioxolane
SMILESCCCC[C@H]1OC(CC)(CC)O[C@H]1C
InChIInChI=1S/C12H24O2/c1-5-8-9-11-10(4)13-12(6-2,7-3)14-11/h10-11H,5-9H2,1-4H3/t10-,11+/m0/s1
InChIKeyNOUFKBAFYSBVQB-WDEREUQCSA-N
MW200.32 g/mol
LogP3.50
Rot. Bonds5

About (4R,5S)-4-butyl-2,2-diethyl-5-methyl-1,3-dioxolane

(4R,5S)-4-butyl-2,2-diethyl-5-methyl-1,3-dioxolane (PubChem CID 134883022) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (4R,5S)-4-butyl-2,2-diethyl-5-methyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5S)-4-butyl-2,2-diethyl-5-methyl-1,3-dioxolane
PubChem CID134883022
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(4R,5S)-4-butyl-2,2-diethyl-5-methyl-1,3-dioxolane
SMILESCCCC[C@H]1OC(CC)(CC)O[C@H]1C
InChIInChI=1S/C12H24O2/c1-5-8-9-11-10(4)13-12(6-2,7-3)14-11/h10-11H,5-9H2,1-4H3/t10-,11+/m0/s1
InChIKeyNOUFKBAFYSBVQB-WDEREUQCSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-butyl-2,2-diethyl-5-methyl-1,3-dioxolane?
The IUPAC name of (4R,5S)-4-butyl-2,2-diethyl-5-methyl-1,3-dioxolane (CID 134883022) is (4R,5S)-4-butyl-2,2-diethyl-5-methyl-1,3-dioxolane.
What is the SMILES notation for (4R,5S)-4-butyl-2,2-diethyl-5-methyl-1,3-dioxolane?
The canonical SMILES for (4R,5S)-4-butyl-2,2-diethyl-5-methyl-1,3-dioxolane is CCCC[C@H]1OC(CC)(CC)O[C@H]1C.
What is the InChIKey of (4R,5S)-4-butyl-2,2-diethyl-5-methyl-1,3-dioxolane?
The InChIKey is NOUFKBAFYSBVQB-WDEREUQCSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-8-9-11-10(4)13-12(6-2,7-3)14-11/h10-11H,5-9H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of (4R,5S)-4-butyl-2,2-diethyl-5-methyl-1,3-dioxolane?
(4R,5S)-4-butyl-2,2-diethyl-5-methyl-1,3-dioxolane has a molecular weight of 200.32 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-butyl-2,2-diethyl-5-methyl-1,3-dioxolane is sourced from PubChem (CID 134883022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).