(3S)-3-(2-methylpentan-3-yloxy)oxolane

C10H20O2 — CID 126735450

IUPAC(3S)-3-(2-methylpentan-3-yloxy)oxolane
SMILESCCC(O[C@H]1CCOC1)C(C)C
InChIInChI=1S/C10H20O2/c1-4-10(8(2)3)12-9-5-6-11-7-9/h8-10H,4-7H2,1-3H3/t9-,10?/m0/s1
InChIKeyYSDDHMVYXGFHAB-RGURZIINSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds4

About (3S)-3-(2-methylpentan-3-yloxy)oxolane

(3S)-3-(2-methylpentan-3-yloxy)oxolane (PubChem CID 126735450) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3S)-3-(2-methylpentan-3-yloxy)oxolane.

Molecular Properties

Compound Name(3S)-3-(2-methylpentan-3-yloxy)oxolane
PubChem CID126735450
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(3S)-3-(2-methylpentan-3-yloxy)oxolane
SMILESCCC(O[C@H]1CCOC1)C(C)C
InChIInChI=1S/C10H20O2/c1-4-10(8(2)3)12-9-5-6-11-7-9/h8-10H,4-7H2,1-3H3/t9-,10?/m0/s1
InChIKeyYSDDHMVYXGFHAB-RGURZIINSA-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 (3S)-3-(2-methylpentan-3-yloxy)oxolane?
The IUPAC name of (3S)-3-(2-methylpentan-3-yloxy)oxolane (CID 126735450) is (3S)-3-(2-methylpentan-3-yloxy)oxolane.
What is the SMILES notation for (3S)-3-(2-methylpentan-3-yloxy)oxolane?
The canonical SMILES for (3S)-3-(2-methylpentan-3-yloxy)oxolane is CCC(O[C@H]1CCOC1)C(C)C.
What is the InChIKey of (3S)-3-(2-methylpentan-3-yloxy)oxolane?
The InChIKey is YSDDHMVYXGFHAB-RGURZIINSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-10(8(2)3)12-9-5-6-11-7-9/h8-10H,4-7H2,1-3H3/t9-,10?/m0/s1.
What are the key properties of (3S)-3-(2-methylpentan-3-yloxy)oxolane?
(3S)-3-(2-methylpentan-3-yloxy)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 (3S)-3-(2-methylpentan-3-yloxy)oxolane is sourced from PubChem (CID 126735450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).