alumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid

C10H21AlO5 — CID 173211036

IUPACalumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid
SMILESCCOC(OC)(C(=O)O)C1CCCCO1.[AlH3]
InChIInChI=1S/C10H18O5.Al.3H/c1-3-15-10(13-2,9(11)12)8-6-4-5-7-14-8;;;;/h8H,3-7H2,1-2H3,(H,11,12);;;;
InChIKeyHGIZCCFKUUCJBV-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.16
Rot. Bonds5

About alumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid

alumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid (PubChem CID 173211036) has the molecular formula C10H21AlO5 and a molecular weight of 248.25 g/mol. Its IUPAC name is alumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid.

Molecular Properties

Compound Namealumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid
PubChem CID173211036
Molecular FormulaC10H21AlO5
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Namealumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid
SMILESCCOC(OC)(C(=O)O)C1CCCCO1.[AlH3]
InChIInChI=1S/C10H18O5.Al.3H/c1-3-15-10(13-2,9(11)12)8-6-4-5-7-14-8;;;;/h8H,3-7H2,1-2H3,(H,11,12);;;;
InChIKeyHGIZCCFKUUCJBV-UHFFFAOYSA-N
XLogP-0.16
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid
CID 167254183
2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid
CID 129368356
2-methyl-2-(oxan-2-ylmethoxy)propanoic acid
CID 82238709
2-(oxan-2-yloxy)propanoic acid
CID 542280
oxan-2-yl butanoate
CID 14932559
methyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate
CID 11334435
2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid
CID 99640388
magnesium;2-ethoxyoxane;dichloride
CID 158421621
methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane
CID 67915115
2-(3-methylpentan-3-yl)-2-[2-(oxan-2-yloxy)ethyl]propanedioic acid
CID 70573615
(2S)-2-tert-butyloxane
CID 118633229
methyl 12-hydroxy-12-(oxan-2-yl)octadecanoate
CID 141003642

Frequently Asked Questions

What is the IUPAC name of alumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid?
The IUPAC name of alumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid (CID 173211036) is alumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid.
What is the SMILES notation for alumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid?
The canonical SMILES for alumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid is CCOC(OC)(C(=O)O)C1CCCCO1.[AlH3].
What is the InChIKey of alumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid?
The InChIKey is HGIZCCFKUUCJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5.Al.3H/c1-3-15-10(13-2,9(11)12)8-6-4-5-7-14-8;;;;/h8H,3-7H2,1-2H3,(H,11,12);;;;.
What are the key properties of alumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid?
alumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid has a molecular weight of 248.25 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid is sourced from PubChem (CID 173211036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).