(5S)-5-(oxan-2-yloxymethyl)oxolan-2-one

C10H16O4 — CID 15482800

IUPAC(5S)-5-(oxan-2-yloxymethyl)oxolan-2-one
SMILESO=C1CC[C@@H](COC2CCCCO2)O1
InChIInChI=1S/C10H16O4/c11-9-5-4-8(14-9)7-13-10-3-1-2-6-12-10/h8,10H,1-7H2/t8-,10?/m0/s1
InChIKeySMMDNCXOHGWGFR-PEHGTWAWSA-N
MW200.23 g/mol
LogP1.24
Rot. Bonds3

About (5S)-5-(oxan-2-yloxymethyl)oxolan-2-one

(5S)-5-(oxan-2-yloxymethyl)oxolan-2-one (PubChem CID 15482800) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (5S)-5-(oxan-2-yloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(oxan-2-yloxymethyl)oxolan-2-one
PubChem CID15482800
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(5S)-5-(oxan-2-yloxymethyl)oxolan-2-one
SMILESO=C1CC[C@@H](COC2CCCCO2)O1
InChIInChI=1S/C10H16O4/c11-9-5-4-8(14-9)7-13-10-3-1-2-6-12-10/h8,10H,1-7H2/t8-,10?/m0/s1
InChIKeySMMDNCXOHGWGFR-PEHGTWAWSA-N
XLogP1.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(oxan-2-yloxymethyl)oxolan-2-one?
The IUPAC name of (5S)-5-(oxan-2-yloxymethyl)oxolan-2-one (CID 15482800) is (5S)-5-(oxan-2-yloxymethyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(oxan-2-yloxymethyl)oxolan-2-one?
The canonical SMILES for (5S)-5-(oxan-2-yloxymethyl)oxolan-2-one is O=C1CC[C@@H](COC2CCCCO2)O1.
What is the InChIKey of (5S)-5-(oxan-2-yloxymethyl)oxolan-2-one?
The InChIKey is SMMDNCXOHGWGFR-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H16O4/c11-9-5-4-8(14-9)7-13-10-3-1-2-6-12-10/h8,10H,1-7H2/t8-,10?/m0/s1.
What are the key properties of (5S)-5-(oxan-2-yloxymethyl)oxolan-2-one?
(5S)-5-(oxan-2-yloxymethyl)oxolan-2-one has a molecular weight of 200.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(oxan-2-yloxymethyl)oxolan-2-one is sourced from PubChem (CID 15482800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).