10-(3-methyloxiran-2-yl)decanoic acid

C13H24O3 — CID 141449209

IUPAC10-(3-methyloxiran-2-yl)decanoic acid
SMILESCC1OC1CCCCCCCCCC(=O)O
InChIInChI=1S/C13H24O3/c1-11-12(16-11)9-7-5-3-2-4-6-8-10-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyNSWNYSNINDTDCC-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.37
Rot. Bonds10

About 10-(3-methyloxiran-2-yl)decanoic acid

10-(3-methyloxiran-2-yl)decanoic acid (PubChem CID 141449209) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 10-(3-methyloxiran-2-yl)decanoic acid.

Molecular Properties

Compound Name10-(3-methyloxiran-2-yl)decanoic acid
PubChem CID141449209
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name10-(3-methyloxiran-2-yl)decanoic acid
SMILESCC1OC1CCCCCCCCCC(=O)O
InChIInChI=1S/C13H24O3/c1-11-12(16-11)9-7-5-3-2-4-6-8-10-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyNSWNYSNINDTDCC-UHFFFAOYSA-N
XLogP3.37
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

8-[(3R)-3-(7-carboxyheptyl)oxiran-2-yl]octanoic acid
CID 87164539
iron;bis(8-(3-octyloxiran-2-yl)octanoic acid)
CID 153323059
9-[(2S,3S)-3-heptyloxiran-2-yl]nonanoic acid
CID 98092610
5-[(2R,3S)-3-undecyloxiran-2-yl]pentanoic acid
CID 656738
17-[(2S,3R)-3-ethyloxiran-2-yl]heptadecanoic acid
CID 118711036
18-[(2R,3S)-3-ethyloxiran-2-yl]octadecanoic acid
CID 118711037
ethyl 11-(3-methyloxiran-2-yl)undecanoate
CID 101288711
5-[4,6-bis(4-carboxybutyl)-1,3,5-trioxan-2-yl]pentanoic acid
CID 101114950
2-(17-carboxyheptadecyl)-4-methyl-5-oxooxolane-3-carboxylic acid
CID 146682621
(Z)-13-[(2R,3R)-3-pentyloxiran-2-yl]tridec-8-enoic acid
CID 35028451
8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octanoic acid
CID 67575682
decanedioic acid;dimethyltin
CID 174830885

Frequently Asked Questions

What is the IUPAC name of 10-(3-methyloxiran-2-yl)decanoic acid?
The IUPAC name of 10-(3-methyloxiran-2-yl)decanoic acid (CID 141449209) is 10-(3-methyloxiran-2-yl)decanoic acid.
What is the SMILES notation for 10-(3-methyloxiran-2-yl)decanoic acid?
The canonical SMILES for 10-(3-methyloxiran-2-yl)decanoic acid is CC1OC1CCCCCCCCCC(=O)O.
What is the InChIKey of 10-(3-methyloxiran-2-yl)decanoic acid?
The InChIKey is NSWNYSNINDTDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-11-12(16-11)9-7-5-3-2-4-6-8-10-13(14)15/h11-12H,2-10H2,1H3,(H,14,15).
What are the key properties of 10-(3-methyloxiran-2-yl)decanoic acid?
10-(3-methyloxiran-2-yl)decanoic acid has a molecular weight of 228.33 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-methyloxiran-2-yl)decanoic acid is sourced from PubChem (CID 141449209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).