2-cyclopropyl-2-methyltetradecanoic acid

C18H34O2 — CID 83147793

IUPAC2-cyclopropyl-2-methyltetradecanoic acid
SMILESCCCCCCCCCCCCC(C)(C(=O)O)C1CC1
InChIInChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-15-18(2,17(19)20)16-13-14-16/h16H,3-15H2,1-2H3,(H,19,20)
InChIKeyGPTSFXGVXAAKAQ-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.80
Rot. Bonds13

About 2-cyclopropyl-2-methyltetradecanoic acid

2-cyclopropyl-2-methyltetradecanoic acid (PubChem CID 83147793) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyltetradecanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-methyltetradecanoic acid
PubChem CID83147793
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name2-cyclopropyl-2-methyltetradecanoic acid
SMILESCCCCCCCCCCCCC(C)(C(=O)O)C1CC1
InChIInChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-15-18(2,17(19)20)16-13-14-16/h16H,3-15H2,1-2H3,(H,19,20)
InChIKeyGPTSFXGVXAAKAQ-UHFFFAOYSA-N
XLogP5.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-2-methyldecanoic acid
CID 175087816
2-cyclopropyl-7-hydroxy-2-methylheptanoic acid
CID 83148520
4-[2-(2-butoxyethoxy)ethoxy]-2-cyclopropyl-2-methylbutanoic acid
CID 104565072
2-cyclopropyl-4-hydroxy-2-methylbutanoic acid
CID 83153767
2-methyl-2-piperidin-4-yldecanedioic acid
CID 67134863
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-heptyl-2-methylpropanedioic acid
CID 89147986
2-cyclopropyl-3-hydroxy-2-methylpropanoic acid
CID 126974927
2-decyl-2-methyltetradecanoic acid
CID 611890
2,2-dimethyldocosanoic acid
CID 23471202
2-hexyl-2-methyldecanoic acid
CID 86051716

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyltetradecanoic acid?
The IUPAC name of 2-cyclopropyl-2-methyltetradecanoic acid (CID 83147793) is 2-cyclopropyl-2-methyltetradecanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-methyltetradecanoic acid?
The canonical SMILES for 2-cyclopropyl-2-methyltetradecanoic acid is CCCCCCCCCCCCC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methyltetradecanoic acid?
The InChIKey is GPTSFXGVXAAKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-15-18(2,17(19)20)16-13-14-16/h16H,3-15H2,1-2H3,(H,19,20).
What are the key properties of 2-cyclopropyl-2-methyltetradecanoic acid?
2-cyclopropyl-2-methyltetradecanoic acid has a molecular weight of 282.47 g/mol, XLogP of 5.80, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyltetradecanoic acid is sourced from PubChem (CID 83147793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).