(5S)-5-[(2S)-2-(methoxymethoxy)heptyl]oxolan-2-one

C13H24O4 — CID 57326348

IUPAC(5S)-5-[(2S)-2-(methoxymethoxy)heptyl]oxolan-2-one
SMILESCCCCC[C@@H](C[C@@H]1CCC(=O)O1)OCOC
InChIInChI=1S/C13H24O4/c1-3-4-5-6-11(16-10-15-2)9-12-7-8-13(14)17-12/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyUEGRPEFVFFHLRX-RYUDHWBXSA-N
MW244.33 g/mol
LogP2.65
Rot. Bonds9

About (5S)-5-[(2S)-2-(methoxymethoxy)heptyl]oxolan-2-one

(5S)-5-[(2S)-2-(methoxymethoxy)heptyl]oxolan-2-one (PubChem CID 57326348) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is (5S)-5-[(2S)-2-(methoxymethoxy)heptyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(2S)-2-(methoxymethoxy)heptyl]oxolan-2-one
PubChem CID57326348
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name(5S)-5-[(2S)-2-(methoxymethoxy)heptyl]oxolan-2-one
SMILESCCCCC[C@@H](C[C@@H]1CCC(=O)O1)OCOC
InChIInChI=1S/C13H24O4/c1-3-4-5-6-11(16-10-15-2)9-12-7-8-13(14)17-12/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyUEGRPEFVFFHLRX-RYUDHWBXSA-N
XLogP2.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Gamma-Decalactone
CID 12813
Gamma-Nonalactone
CID 7710
Gamma-undecalactone
CID 7714
Gamma-Dodecalactone
CID 16821
gamma-Octalactone
CID 7704
2(3H)-Furanone, 5-dodecyldihydro-
CID 97747
gamma-Tetradecalactone
CID 97746
gamma-Dodecalactone, (S)-
CID 12237820
(R)-gamma-Decalactone
CID 183870
(S)-4-Nonanolide
CID 441574
(5S)-5-hexyloxolan-2-one
CID 7057904
(S)-gamma-Octanolactone
CID 7057972

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2S)-2-(methoxymethoxy)heptyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(2S)-2-(methoxymethoxy)heptyl]oxolan-2-one (CID 57326348) is (5S)-5-[(2S)-2-(methoxymethoxy)heptyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(2S)-2-(methoxymethoxy)heptyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(2S)-2-(methoxymethoxy)heptyl]oxolan-2-one is CCCCC[C@@H](C[C@@H]1CCC(=O)O1)OCOC.
What is the InChIKey of (5S)-5-[(2S)-2-(methoxymethoxy)heptyl]oxolan-2-one?
The InChIKey is UEGRPEFVFFHLRX-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H24O4/c1-3-4-5-6-11(16-10-15-2)9-12-7-8-13(14)17-12/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (5S)-5-[(2S)-2-(methoxymethoxy)heptyl]oxolan-2-one?
(5S)-5-[(2S)-2-(methoxymethoxy)heptyl]oxolan-2-one has a molecular weight of 244.33 g/mol, XLogP of 2.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2S)-2-(methoxymethoxy)heptyl]oxolan-2-one is sourced from PubChem (CID 57326348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).