5-prop-2-enyldodecanoic acid

C15H28O2 — CID 90887636

IUPAC5-prop-2-enyldodecanoic acid
SMILESC=CCC(CCCCCCC)CCCC(=O)O
InChIInChI=1S/C15H28O2/c1-3-5-6-7-8-11-14(10-4-2)12-9-13-15(16)17/h4,14H,2-3,5-13H2,1H3,(H,16,17)
InChIKeyMIZRVBFKYIWDPU-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.79
Rot. Bonds12

About 5-prop-2-enyldodecanoic acid

5-prop-2-enyldodecanoic acid (PubChem CID 90887636) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-prop-2-enyldodecanoic acid.

Molecular Properties

Compound Name5-prop-2-enyldodecanoic acid
PubChem CID90887636
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name5-prop-2-enyldodecanoic acid
SMILESC=CCC(CCCCCCC)CCCC(=O)O
InChIInChI=1S/C15H28O2/c1-3-5-6-7-8-11-14(10-4-2)12-9-13-15(16)17/h4,14H,2-3,5-13H2,1H3,(H,16,17)
InChIKeyMIZRVBFKYIWDPU-UHFFFAOYSA-N
XLogP4.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethyloct-1-ene;hexanedioic acid
CID 175450276
23-pentylpentatetracontanedioic acid
CID 141048477
10-hexyloctadecanoic acid
CID 91174619
17-prop-2-enyltetratriacontane
CID 173452630
13-nonyl-14-prop-2-enylhexacosanedioic acid
CID 123780538
9-ethyloctadecanoic acid
CID 11045212
7-ethyldodecanoic acid
CID 5282689
4-prop-2-enylpentadec-1-ene
CID 54427529
2-heptylundecan-1-ol;hexadecanoic acid
CID 175092135
ethenol;octadecanoic acid
CID 87216470
10-(aminomethyl)octadecanoic acid
CID 155144621
dec-1-ene;dec-9-enoic acid
CID 87497067

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enyldodecanoic acid?
The IUPAC name of 5-prop-2-enyldodecanoic acid (CID 90887636) is 5-prop-2-enyldodecanoic acid.
What is the SMILES notation for 5-prop-2-enyldodecanoic acid?
The canonical SMILES for 5-prop-2-enyldodecanoic acid is C=CCC(CCCCCCC)CCCC(=O)O.
What is the InChIKey of 5-prop-2-enyldodecanoic acid?
The InChIKey is MIZRVBFKYIWDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-5-6-7-8-11-14(10-4-2)12-9-13-15(16)17/h4,14H,2-3,5-13H2,1H3,(H,16,17).
What are the key properties of 5-prop-2-enyldodecanoic acid?
5-prop-2-enyldodecanoic acid has a molecular weight of 240.39 g/mol, XLogP of 4.79, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyldodecanoic acid is sourced from PubChem (CID 90887636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).