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

C15H30O4 — CID 167558063

IUPACmethane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid
SMILESC.CCCCCCCCCC1(CC(=O)O)OCCO1
InChIInChI=1S/C14H26O4.CH4/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);1H4
InChIKeyDGVRUUGDKYRTQZ-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.98
Rot. Bonds10

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

methane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid (PubChem CID 167558063) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is methane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid.

Molecular Properties

Compound Namemethane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid
PubChem CID167558063
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Namemethane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid
SMILESC.CCCCCCCCCC1(CC(=O)O)OCCO1
InChIInChI=1S/C14H26O4.CH4/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);1H4
InChIKeyDGVRUUGDKYRTQZ-UHFFFAOYSA-N
XLogP3.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.98
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

1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one
CID 21301805
12-(2-nonyl-1,3-dioxolan-2-yl)dodecanoic acid
CID 123235392
methane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate
CID 167660733
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid
CID 13085716
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol
CID 10359175
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-(1-dodecylcyclopropyl)acetic acid
CID 21495392
2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
CID 72578433

Frequently Asked Questions

What is the IUPAC name of methane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid?
The IUPAC name of methane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid (CID 167558063) is methane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid.
What is the SMILES notation for methane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid?
The canonical SMILES for methane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid is C.CCCCCCCCCC1(CC(=O)O)OCCO1.
What is the InChIKey of methane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid?
The InChIKey is DGVRUUGDKYRTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4.CH4/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);1H4.
What are the key properties of methane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid?
methane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid has a molecular weight of 274.40 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid is sourced from PubChem (CID 167558063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).