(2S,3S)-2-ethyl-3,4,5-trimethyloxolane

C9H18O — CID 59088156

IUPAC(2S,3S)-2-ethyl-3,4,5-trimethyloxolane
SMILESCC[C@@H]1OC(C)C(C)[C@@H]1C
InChIInChI=1S/C9H18O/c1-5-9-7(3)6(2)8(4)10-9/h6-9H,5H2,1-4H3/t6?,7-,8?,9-/m0/s1
InChIKeyPVHCBZSEMXAHCU-QKZHKQSRSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds1

About (2S,3S)-2-ethyl-3,4,5-trimethyloxolane

(2S,3S)-2-ethyl-3,4,5-trimethyloxolane (PubChem CID 59088156) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (2S,3S)-2-ethyl-3,4,5-trimethyloxolane.

Molecular Properties

Compound Name(2S,3S)-2-ethyl-3,4,5-trimethyloxolane
PubChem CID59088156
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(2S,3S)-2-ethyl-3,4,5-trimethyloxolane
SMILESCC[C@@H]1OC(C)C(C)[C@@H]1C
InChIInChI=1S/C9H18O/c1-5-9-7(3)6(2)8(4)10-9/h6-9H,5H2,1-4H3/t6?,7-,8?,9-/m0/s1
InChIKeyPVHCBZSEMXAHCU-QKZHKQSRSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethyl-3,4,5-trimethyloxolane?
The IUPAC name of (2S,3S)-2-ethyl-3,4,5-trimethyloxolane (CID 59088156) is (2S,3S)-2-ethyl-3,4,5-trimethyloxolane.
What is the SMILES notation for (2S,3S)-2-ethyl-3,4,5-trimethyloxolane?
The canonical SMILES for (2S,3S)-2-ethyl-3,4,5-trimethyloxolane is CC[C@@H]1OC(C)C(C)[C@@H]1C.
What is the InChIKey of (2S,3S)-2-ethyl-3,4,5-trimethyloxolane?
The InChIKey is PVHCBZSEMXAHCU-QKZHKQSRSA-N. The full InChI is InChI=1S/C9H18O/c1-5-9-7(3)6(2)8(4)10-9/h6-9H,5H2,1-4H3/t6?,7-,8?,9-/m0/s1.
What are the key properties of (2S,3S)-2-ethyl-3,4,5-trimethyloxolane?
(2S,3S)-2-ethyl-3,4,5-trimethyloxolane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-ethyl-3,4,5-trimethyloxolane is sourced from PubChem (CID 59088156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).