2-pentyldec-9-enoic acid

C15H28O2 — CID 175975601

IUPAC2-pentyldec-9-enoic acid
SMILESC=CCCCCCCC(CCCCC)C(=O)O
InChIInChI=1S/C15H28O2/c1-3-5-7-8-9-11-13-14(15(16)17)12-10-6-4-2/h3,14H,1,4-13H2,2H3,(H,16,17)
InChIKeyXNGUQZNLUXCYOM-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.79
Rot. Bonds12

About 2-pentyldec-9-enoic acid

2-pentyldec-9-enoic acid (PubChem CID 175975601) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-pentyldec-9-enoic acid.

Molecular Properties

Compound Name2-pentyldec-9-enoic acid
PubChem CID175975601
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-pentyldec-9-enoic acid
SMILESC=CCCCCCCC(CCCCC)C(=O)O
InChIInChI=1S/C15H28O2/c1-3-5-7-8-9-11-13-14(15(16)17)12-10-6-4-2/h3,14H,1,4-13H2,2H3,(H,16,17)
InChIKeyXNGUQZNLUXCYOM-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

2-but-3-enyldecanoic acid;sulfane
CID 174631215
2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid
CID 87921197
2-icos-11-enyltetracos-15-enoic acid
CID 54547643
(Z)-2-[(Z)-octadec-9-enyl]docos-13-enoic acid
CID 87920196
2-[(Z)-tetradec-7-enyl]icosanoic acid
CID 56844148
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625
2-nonylpentadecanoic acid
CID 139605044
2-hexylpentacosanoic acid
CID 158257677
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654

Frequently Asked Questions

What is the IUPAC name of 2-pentyldec-9-enoic acid?
The IUPAC name of 2-pentyldec-9-enoic acid (CID 175975601) is 2-pentyldec-9-enoic acid.
What is the SMILES notation for 2-pentyldec-9-enoic acid?
The canonical SMILES for 2-pentyldec-9-enoic acid is C=CCCCCCCC(CCCCC)C(=O)O.
What is the InChIKey of 2-pentyldec-9-enoic acid?
The InChIKey is XNGUQZNLUXCYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-5-7-8-9-11-13-14(15(16)17)12-10-6-4-2/h3,14H,1,4-13H2,2H3,(H,16,17).
What are the key properties of 2-pentyldec-9-enoic acid?
2-pentyldec-9-enoic 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 2-pentyldec-9-enoic acid is sourced from PubChem (CID 175975601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).