2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid

C14H26O4 — CID 11288385

IUPAC2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid
SMILESCCCCCCCCCC1(CC(=O)O)OCCO1
InChIInChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-14(12-13(15)16)17-10-11-18-14/h2-12H2,1H3,(H,15,16)
InChIKeyLLEGWQKHZKWHGX-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.34
Rot. Bonds10

About 2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid

2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid (PubChem CID 11288385) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid
PubChem CID11288385
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid
SMILESCCCCCCCCCC1(CC(=O)O)OCCO1
InChIInChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-14(12-13(15)16)17-10-11-18-14/h2-12H2,1H3,(H,15,16)
InChIKeyLLEGWQKHZKWHGX-UHFFFAOYSA-N
XLogP3.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(1,3-Dioxolan-2-yl)hexanoic acid
CID 70069321
Cladospolide F
CID 122186299
Hexadecanoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
CID 541241
1,2-Isopropylidene-3-decanoylglycerol
CID 171586
6-[2-(2-Hydroxy-2-oxoethyl)tetrahydrofuran-5-yl]hexanoic acid
CID 13220195
(4R,5R)-4-hydroxy-5-nonyloxolan-2-one
CID 134143659
3R-hydroxy-4R-decanolide
CID 11298375
(4S,5R)-4-Hydroxy-5-octyldihydrofuran-2(3H)-one
CID 169441103
(4S,5S)-4-Hydroxy-5-octyldihydrofuran-2(3H)-one
CID 169441104
Bassianolone
CID 11816760
(2R,5S,7S)-3alpha-hydroxyexogonic acid
CID 71524174
Ent-cladospolide F
CID 146682965

Frequently Asked Questions

What is the IUPAC name of 2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid?
The IUPAC name of 2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid (CID 11288385) is 2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid.
What is the SMILES notation for 2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid?
The canonical SMILES for 2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid is CCCCCCCCCC1(CC(=O)O)OCCO1.
What is the InChIKey of 2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid?
The InChIKey is LLEGWQKHZKWHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-14(12-13(15)16)17-10-11-18-14/h2-12H2,1H3,(H,15,16).
What are the key properties of 2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid?
2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid has a molecular weight of 258.36 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid is sourced from PubChem (CID 11288385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).