2-methylheptadec-2-enoic acid;hydrofluoride

C18H35FO2 — CID 174883773

IUPAC2-methylheptadec-2-enoic acid;hydrofluoride
SMILESCCCCCCCCCCCCCCC=C(C)C(=O)O.F
InChIInChI=1S/C18H34O2.FH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20;/h16H,3-15H2,1-2H3,(H,19,20);1H
InChIKeyHNXDKJLNRXNVHA-UHFFFAOYSA-N
MW302.47 g/mol
LogP6.26
Rot. Bonds14

About 2-methylheptadec-2-enoic acid;hydrofluoride

2-methylheptadec-2-enoic acid;hydrofluoride (PubChem CID 174883773) has the molecular formula C18H35FO2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 2-methylheptadec-2-enoic acid;hydrofluoride.

Molecular Properties

Compound Name2-methylheptadec-2-enoic acid;hydrofluoride
PubChem CID174883773
Molecular FormulaC18H35FO2
Molecular Weight302.47 g/mol
Exact Mass302.26
IUPAC Name2-methylheptadec-2-enoic acid;hydrofluoride
SMILESCCCCCCCCCCCCCCC=C(C)C(=O)O.F
InChIInChI=1S/C18H34O2.FH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20;/h16H,3-15H2,1-2H3,(H,19,20);1H
InChIKeyHNXDKJLNRXNVHA-UHFFFAOYSA-N
XLogP6.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.47
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
(2E,12E)-2-methylhenicosa-2,12-dienoic acid
CID 87122533
2-methylhenicosa-2,12-dienoic acid
CID 73411111
2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
2-methylpentacos-2-enoic acid;prop-2-enoic acid
CID 158192542
N,N-dimethylformamide;2-methyloct-2-enoic acid
CID 161449780
(2E,11E,14E)-2-methylhenicosa-2,11,14-trienoic acid
CID 88938967
2,8-dimethylhexadec-2-enoic acid
CID 90737317
2,2-dimethylpropanoic acid;2-methyloct-2-enoic acid;hydrochloride
CID 172860299
butyl acetate;2-methylhenicos-2-enoic acid
CID 174757296

Frequently Asked Questions

What is the IUPAC name of 2-methylheptadec-2-enoic acid;hydrofluoride?
The IUPAC name of 2-methylheptadec-2-enoic acid;hydrofluoride (CID 174883773) is 2-methylheptadec-2-enoic acid;hydrofluoride.
What is the SMILES notation for 2-methylheptadec-2-enoic acid;hydrofluoride?
The canonical SMILES for 2-methylheptadec-2-enoic acid;hydrofluoride is CCCCCCCCCCCCCCC=C(C)C(=O)O.F.
What is the InChIKey of 2-methylheptadec-2-enoic acid;hydrofluoride?
The InChIKey is HNXDKJLNRXNVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2.FH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20;/h16H,3-15H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-methylheptadec-2-enoic acid;hydrofluoride?
2-methylheptadec-2-enoic acid;hydrofluoride has a molecular weight of 302.47 g/mol, XLogP of 6.26, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylheptadec-2-enoic acid;hydrofluoride is sourced from PubChem (CID 174883773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).