2-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]acetaldehyde

C16H28O5 — CID 11961351

IUPAC2-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]acetaldehyde
SMILESCOCO[C@H](C)[C@]1(C)CC[C@H]([C@]2(C)CC[C@@H](CC=O)O2)O1
InChIInChI=1S/C16H28O5/c1-12(19-11-18-4)15(2)9-6-14(21-15)16(3)8-5-13(20-16)7-10-17/h10,12-14H,5-9,11H2,1-4H3/t12-,13+,14-,15+,16+/m1/s1
InChIKeyVUELQZNOOWHGHM-LEOABGAYSA-N
MW300.39 g/mol
LogP2.46
Rot. Bonds7

About 2-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]acetaldehyde

2-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]acetaldehyde (PubChem CID 11961351) has the molecular formula C16H28O5 and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]acetaldehyde
PubChem CID11961351
Molecular FormulaC16H28O5
Molecular Weight300.39 g/mol
Exact Mass300.19
IUPAC Name2-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]acetaldehyde
SMILESCOCO[C@H](C)[C@]1(C)CC[C@H]([C@]2(C)CC[C@@H](CC=O)O2)O1
InChIInChI=1S/C16H28O5/c1-12(19-11-18-4)15(2)9-6-14(21-15)16(3)8-5-13(20-16)7-10-17/h10,12-14H,5-9,11H2,1-4H3/t12-,13+,14-,15+,16+/m1/s1
InChIKeyVUELQZNOOWHGHM-LEOABGAYSA-N
XLogP2.46
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 2-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]acetaldehyde (CID 11961351) is 2-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]acetaldehyde is COCO[C@H](C)[C@]1(C)CC[C@H]([C@]2(C)CC[C@@H](CC=O)O2)O1.
What is the InChIKey of 2-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]acetaldehyde?
The InChIKey is VUELQZNOOWHGHM-LEOABGAYSA-N. The full InChI is InChI=1S/C16H28O5/c1-12(19-11-18-4)15(2)9-6-14(21-15)16(3)8-5-13(20-16)7-10-17/h10,12-14H,5-9,11H2,1-4H3/t12-,13+,14-,15+,16+/m1/s1.
What are the key properties of 2-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]acetaldehyde?
2-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]acetaldehyde has a molecular weight of 300.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]acetaldehyde is sourced from PubChem (CID 11961351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).