2-(1-hydroxyethyl)nonanoic acid

C11H22O3 — CID 87790479

IUPAC2-(1-hydroxyethyl)nonanoic acid
SMILESCCCCCCCC(C(=O)O)C(C)O
InChIInChI=1S/C11H22O3/c1-3-4-5-6-7-8-10(9(2)12)11(13)14/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyVKEILOJMKRSQKR-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.43
Rot. Bonds8

About 2-(1-hydroxyethyl)nonanoic acid

2-(1-hydroxyethyl)nonanoic acid (PubChem CID 87790479) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)nonanoic acid.

Molecular Properties

Compound Name2-(1-hydroxyethyl)nonanoic acid
PubChem CID87790479
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-(1-hydroxyethyl)nonanoic acid
SMILESCCCCCCCC(C(=O)O)C(C)O
InChIInChI=1S/C11H22O3/c1-3-4-5-6-7-8-10(9(2)12)11(13)14/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyVKEILOJMKRSQKR-UHFFFAOYSA-N
XLogP2.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(1-hydroxyethyl)octadec-9-enoic acid
CID 141002833
2-hexadecyl-3-octadecylbutanedioic acid
CID 21183607
2,3-di(icosyl)butanedioic acid
CID 140519407
2-methyl-3-octadecylbutanedioic acid
CID 21183584
2-dodecyl-3-(22-methyltricosyl)butanedioic acid
CID 139823859
3-hydroxy-2-octyldodecanoic acid
CID 86181750
(2R,3S)-2-dodecyl-3-hydroxyhexadecanoic acid
CID 129320456
2-butan-2-ylpentadecanoic acid
CID 87442316
2-octadecan-9-ylhexadecanoic acid
CID 87963385
2-octadecan-7-ylhexadecanoic acid
CID 57023250
2-icosan-9-ylhexadecanoic acid
CID 87113563
3-hexadecyl-2-tetradecylicosanoic acid
CID 87374965

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)nonanoic acid?
The IUPAC name of 2-(1-hydroxyethyl)nonanoic acid (CID 87790479) is 2-(1-hydroxyethyl)nonanoic acid.
What is the SMILES notation for 2-(1-hydroxyethyl)nonanoic acid?
The canonical SMILES for 2-(1-hydroxyethyl)nonanoic acid is CCCCCCCC(C(=O)O)C(C)O.
What is the InChIKey of 2-(1-hydroxyethyl)nonanoic acid?
The InChIKey is VKEILOJMKRSQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-4-5-6-7-8-10(9(2)12)11(13)14/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-(1-hydroxyethyl)nonanoic acid?
2-(1-hydroxyethyl)nonanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)nonanoic acid is sourced from PubChem (CID 87790479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).