(8S)-8-(methoxymethoxy)-10-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]decanal

C17H28O5 — CID 10781411

IUPAC(8S)-8-(methoxymethoxy)-10-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]decanal
SMILESCOCO[C@@H](CCCCCCC=O)CCC1=C[C@H](C)OC1=O
InChIInChI=1S/C17H28O5/c1-14-12-15(17(19)22-14)9-10-16(21-13-20-2)8-6-4-3-5-7-11-18/h11-12,14,16H,3-10,13H2,1-2H3/t14-,16-/m0/s1
InChIKeyMDHZQYSVQGOVKA-HOCLYGCPSA-N
MW312.41 g/mol
LogP3.17
Rot. Bonds13

About (8S)-8-(methoxymethoxy)-10-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]decanal

(8S)-8-(methoxymethoxy)-10-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]decanal (PubChem CID 10781411) has the molecular formula C17H28O5 and a molecular weight of 312.41 g/mol. Its IUPAC name is (8S)-8-(methoxymethoxy)-10-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]decanal.

Molecular Properties

Compound Name(8S)-8-(methoxymethoxy)-10-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]decanal
PubChem CID10781411
Molecular FormulaC17H28O5
Molecular Weight312.41 g/mol
Exact Mass312.19
IUPAC Name(8S)-8-(methoxymethoxy)-10-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]decanal
SMILESCOCO[C@@H](CCCCCCC=O)CCC1=C[C@H](C)OC1=O
InChIInChI=1S/C17H28O5/c1-14-12-15(17(19)22-14)9-10-16(21-13-20-2)8-6-4-3-5-7-11-18/h11-12,14,16H,3-10,13H2,1-2H3/t14-,16-/m0/s1
InChIKeyMDHZQYSVQGOVKA-HOCLYGCPSA-N
XLogP3.17
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-(methoxymethoxy)-10-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]decanal?
The IUPAC name of (8S)-8-(methoxymethoxy)-10-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]decanal (CID 10781411) is (8S)-8-(methoxymethoxy)-10-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]decanal.
What is the SMILES notation for (8S)-8-(methoxymethoxy)-10-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]decanal?
The canonical SMILES for (8S)-8-(methoxymethoxy)-10-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]decanal is COCO[C@@H](CCCCCCC=O)CCC1=C[C@H](C)OC1=O.
What is the InChIKey of (8S)-8-(methoxymethoxy)-10-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]decanal?
The InChIKey is MDHZQYSVQGOVKA-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H28O5/c1-14-12-15(17(19)22-14)9-10-16(21-13-20-2)8-6-4-3-5-7-11-18/h11-12,14,16H,3-10,13H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of (8S)-8-(methoxymethoxy)-10-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]decanal?
(8S)-8-(methoxymethoxy)-10-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]decanal has a molecular weight of 312.41 g/mol, XLogP of 3.17, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(methoxymethoxy)-10-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]decanal is sourced from PubChem (CID 10781411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).