10,10-dimethyl-2-(oxiran-2-ylmethyl)undecanoic acid

C16H30O3 — CID 162063224

IUPAC10,10-dimethyl-2-(oxiran-2-ylmethyl)undecanoic acid
SMILESCC(C)(C)CCCCCCCC(CC1CO1)C(=O)O
InChIInChI=1S/C16H30O3/c1-16(2,3)10-8-6-4-5-7-9-13(15(17)18)11-14-12-19-14/h13-14H,4-12H2,1-3H3,(H,17,18)
InChIKeyZACQDPKMTAZMNX-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.25
Rot. Bonds10

About 10,10-dimethyl-2-(oxiran-2-ylmethyl)undecanoic acid

10,10-dimethyl-2-(oxiran-2-ylmethyl)undecanoic acid (PubChem CID 162063224) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 10,10-dimethyl-2-(oxiran-2-ylmethyl)undecanoic acid.

Molecular Properties

Compound Name10,10-dimethyl-2-(oxiran-2-ylmethyl)undecanoic acid
PubChem CID162063224
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name10,10-dimethyl-2-(oxiran-2-ylmethyl)undecanoic acid
SMILESCC(C)(C)CCCCCCCC(CC1CO1)C(=O)O
InChIInChI=1S/C16H30O3/c1-16(2,3)10-8-6-4-5-7-9-13(15(17)18)11-14-12-19-14/h13-14H,4-12H2,1-3H3,(H,17,18)
InChIKeyZACQDPKMTAZMNX-UHFFFAOYSA-N
XLogP4.25
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.25
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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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-2-(oxiran-2-ylmethyl)undecanoic acid?
The IUPAC name of 10,10-dimethyl-2-(oxiran-2-ylmethyl)undecanoic acid (CID 162063224) is 10,10-dimethyl-2-(oxiran-2-ylmethyl)undecanoic acid.
What is the SMILES notation for 10,10-dimethyl-2-(oxiran-2-ylmethyl)undecanoic acid?
The canonical SMILES for 10,10-dimethyl-2-(oxiran-2-ylmethyl)undecanoic acid is CC(C)(C)CCCCCCCC(CC1CO1)C(=O)O.
What is the InChIKey of 10,10-dimethyl-2-(oxiran-2-ylmethyl)undecanoic acid?
The InChIKey is ZACQDPKMTAZMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-16(2,3)10-8-6-4-5-7-9-13(15(17)18)11-14-12-19-14/h13-14H,4-12H2,1-3H3,(H,17,18).
What are the key properties of 10,10-dimethyl-2-(oxiran-2-ylmethyl)undecanoic acid?
10,10-dimethyl-2-(oxiran-2-ylmethyl)undecanoic acid has a molecular weight of 270.41 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-2-(oxiran-2-ylmethyl)undecanoic acid is sourced from PubChem (CID 162063224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).