heptadecanoic acid

C17H34O2 — CID 10465

IUPACheptadecanoic acid
SMILESCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
InChIKeyKEMQGTRYUADPNZ-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.94
Rot. Bonds15

About heptadecanoic acid

heptadecanoic acid (PubChem CID 10465) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is heptadecanoic acid.

Molecular Properties

Compound Nameheptadecanoic acid
PubChem CID10465
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Nameheptadecanoic acid
SMILESCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
InChIKeyKEMQGTRYUADPNZ-UHFFFAOYSA-N
XLogP5.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.94
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

Octanoic Acid
CID 379
Decanoic Acid
CID 2969
Lauric Acid
CID 3893
Nonanoic Acid
CID 8158
Palmitic Acid
CID 985
Azelaic Acid
CID 2266
Stearic Acid
CID 5281
Heptanoic Acid
CID 8094
Myristic Acid
CID 11005
Sebacic Acid
CID 5192
Undecanoic Acid
CID 8180
Phytanic Acid
CID 26840

Frequently Asked Questions

What is the IUPAC name of heptadecanoic acid?
The IUPAC name of heptadecanoic acid (CID 10465) is heptadecanoic acid.
What is the SMILES notation for heptadecanoic acid?
The canonical SMILES for heptadecanoic acid is CCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of heptadecanoic acid?
The InChIKey is KEMQGTRYUADPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19).
What are the key properties of heptadecanoic acid?
heptadecanoic acid has a molecular weight of 270.46 g/mol, XLogP of 5.94, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecanoic acid is sourced from PubChem (CID 10465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).