(2R,4S)-4-ethyl-2-(propan-2-yloxymethyl)oxolane

C10H20O2 — CID 146202187

IUPAC(2R,4S)-4-ethyl-2-(propan-2-yloxymethyl)oxolane
SMILESCC[C@@H]1CO[C@@H](COC(C)C)C1
InChIInChI=1S/C10H20O2/c1-4-9-5-10(12-6-9)7-11-8(2)3/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeySRPBSVKKUYCORG-VHSXEESVSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds4

About (2R,4S)-4-ethyl-2-(propan-2-yloxymethyl)oxolane

(2R,4S)-4-ethyl-2-(propan-2-yloxymethyl)oxolane (PubChem CID 146202187) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2R,4S)-4-ethyl-2-(propan-2-yloxymethyl)oxolane.

Molecular Properties

Compound Name(2R,4S)-4-ethyl-2-(propan-2-yloxymethyl)oxolane
PubChem CID146202187
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2R,4S)-4-ethyl-2-(propan-2-yloxymethyl)oxolane
SMILESCC[C@@H]1CO[C@@H](COC(C)C)C1
InChIInChI=1S/C10H20O2/c1-4-9-5-10(12-6-9)7-11-8(2)3/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeySRPBSVKKUYCORG-VHSXEESVSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-ethyl-2-(propan-2-yloxymethyl)oxolane?
The IUPAC name of (2R,4S)-4-ethyl-2-(propan-2-yloxymethyl)oxolane (CID 146202187) is (2R,4S)-4-ethyl-2-(propan-2-yloxymethyl)oxolane.
What is the SMILES notation for (2R,4S)-4-ethyl-2-(propan-2-yloxymethyl)oxolane?
The canonical SMILES for (2R,4S)-4-ethyl-2-(propan-2-yloxymethyl)oxolane is CC[C@@H]1CO[C@@H](COC(C)C)C1.
What is the InChIKey of (2R,4S)-4-ethyl-2-(propan-2-yloxymethyl)oxolane?
The InChIKey is SRPBSVKKUYCORG-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-9-5-10(12-6-9)7-11-8(2)3/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (2R,4S)-4-ethyl-2-(propan-2-yloxymethyl)oxolane?
(2R,4S)-4-ethyl-2-(propan-2-yloxymethyl)oxolane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-ethyl-2-(propan-2-yloxymethyl)oxolane is sourced from PubChem (CID 146202187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).