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

C10H20O2 — CID 123530303

IUPAC(2S,5R)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane
SMILESCCC(C)[C@@H]1OC(CC)[C@@H](C)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+/m1/s1
InChIKeyZMRVRZCZVOKDTI-RGWUEKKESA-N
MW172.27 g/mol
LogP2.57
Rot. Bonds3

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

(2S,5R)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane (PubChem CID 123530303) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S,5R)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane.

Molecular Properties

Compound Name(2S,5R)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane
PubChem CID123530303
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2S,5R)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane
SMILESCCC(C)[C@@H]1OC(CC)[C@@H](C)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+/m1/s1
InChIKeyZMRVRZCZVOKDTI-RGWUEKKESA-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

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane?
The IUPAC name of (2S,5R)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane (CID 123530303) is (2S,5R)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane.
What is the SMILES notation for (2S,5R)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane?
The canonical SMILES for (2S,5R)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane is CCC(C)[C@@H]1OC(CC)[C@@H](C)O1.
What is the InChIKey of (2S,5R)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane?
The InChIKey is ZMRVRZCZVOKDTI-RGWUEKKESA-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+/m1/s1.
What are the key properties of (2S,5R)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane?
(2S,5R)-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 (2S,5R)-2-butan-2-yl-4-ethyl-5-methyl-1,3-dioxolane is sourced from PubChem (CID 123530303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).