heptadec-8-enylcarbamic acid

C18H35NO2 — CID 54440389

IUPACheptadec-8-enylcarbamic acid
SMILESCCCCCCCCC=CCCCCCCCNC(=O)O
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(20)21/h9-10,19H,2-8,11-17H2,1H3,(H,20,21)
InChIKeyWNRKMYWZPYBBQJ-UHFFFAOYSA-N
MW297.48 g/mol
LogP5.90
Rot. Bonds15

About heptadec-8-enylcarbamic acid

heptadec-8-enylcarbamic acid (PubChem CID 54440389) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is heptadec-8-enylcarbamic acid.

Molecular Properties

Compound Nameheptadec-8-enylcarbamic acid
PubChem CID54440389
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Nameheptadec-8-enylcarbamic acid
SMILESCCCCCCCCC=CCCCCCCCNC(=O)O
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(20)21/h9-10,19H,2-8,11-17H2,1H3,(H,20,21)
InChIKeyWNRKMYWZPYBBQJ-UHFFFAOYSA-N
XLogP5.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.48
LogP ≤ 55.90
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of heptadec-8-enylcarbamic acid?
The IUPAC name of heptadec-8-enylcarbamic acid (CID 54440389) is heptadec-8-enylcarbamic acid.
What is the SMILES notation for heptadec-8-enylcarbamic acid?
The canonical SMILES for heptadec-8-enylcarbamic acid is CCCCCCCCC=CCCCCCCCNC(=O)O.
What is the InChIKey of heptadec-8-enylcarbamic acid?
The InChIKey is WNRKMYWZPYBBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(20)21/h9-10,19H,2-8,11-17H2,1H3,(H,20,21).
What are the key properties of heptadec-8-enylcarbamic acid?
heptadec-8-enylcarbamic acid has a molecular weight of 297.48 g/mol, XLogP of 5.90, 15 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadec-8-enylcarbamic acid is sourced from PubChem (CID 54440389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).