(4S)-4-(oxan-2-yloxy)oxolan-2-one

C9H14O4 — CID 139705709

IUPAC(4S)-4-(oxan-2-yloxy)oxolan-2-one
SMILESO=C1C[C@H](OC2CCCCO2)CO1
InChIInChI=1S/C9H14O4/c10-8-5-7(6-12-8)13-9-3-1-2-4-11-9/h7,9H,1-6H2/t7-,9?/m0/s1
InChIKeyZHXWAVZGFYVIDX-JAVCKPHESA-N
MW186.21 g/mol
LogP0.85
Rot. Bonds2

About (4S)-4-(oxan-2-yloxy)oxolan-2-one

(4S)-4-(oxan-2-yloxy)oxolan-2-one (PubChem CID 139705709) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (4S)-4-(oxan-2-yloxy)oxolan-2-one.

Molecular Properties

Compound Name(4S)-4-(oxan-2-yloxy)oxolan-2-one
PubChem CID139705709
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(4S)-4-(oxan-2-yloxy)oxolan-2-one
SMILESO=C1C[C@H](OC2CCCCO2)CO1
InChIInChI=1S/C9H14O4/c10-8-5-7(6-12-8)13-9-3-1-2-4-11-9/h7,9H,1-6H2/t7-,9?/m0/s1
InChIKeyZHXWAVZGFYVIDX-JAVCKPHESA-N
XLogP0.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxetan-3-yloxy)oxane
CID 54083112
(4S)-4-(oxan-2-yloxy)pyrrolidin-2-one
CID 141338293
6-(chloromethyl)-4-(oxan-2-yloxy)oxan-2-one
CID 77459832
2-cycloheptyloxyoxane
CID 11735764
6-(2-chloroethyl)-4-(oxan-2-yloxy)oxan-2-one
CID 123260317
2-(4-methylidenecyclohexyl)oxyoxane
CID 15349885
3-(oxan-2-yloxy)cyclobutan-1-ol
CID 155584587
trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol
CID 89143909
(4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
CID 44604239
(2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane
CID 98518565
cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone
CID 140522461
2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane
CID 57121539

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(oxan-2-yloxy)oxolan-2-one?
The IUPAC name of (4S)-4-(oxan-2-yloxy)oxolan-2-one (CID 139705709) is (4S)-4-(oxan-2-yloxy)oxolan-2-one.
What is the SMILES notation for (4S)-4-(oxan-2-yloxy)oxolan-2-one?
The canonical SMILES for (4S)-4-(oxan-2-yloxy)oxolan-2-one is O=C1C[C@H](OC2CCCCO2)CO1.
What is the InChIKey of (4S)-4-(oxan-2-yloxy)oxolan-2-one?
The InChIKey is ZHXWAVZGFYVIDX-JAVCKPHESA-N. The full InChI is InChI=1S/C9H14O4/c10-8-5-7(6-12-8)13-9-3-1-2-4-11-9/h7,9H,1-6H2/t7-,9?/m0/s1.
What are the key properties of (4S)-4-(oxan-2-yloxy)oxolan-2-one?
(4S)-4-(oxan-2-yloxy)oxolan-2-one has a molecular weight of 186.21 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(oxan-2-yloxy)oxolan-2-one is sourced from PubChem (CID 139705709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).