(4R,5R)-3-azido-4,5-dimethylnonadec-7-ene

C21H41N3 — CID 91027004

IUPAC(4R,5R)-3-azido-4,5-dimethylnonadec-7-ene
SMILESCCCCCCCCCCCC=CC[C@@H](C)[C@@H](C)C(CC)N=[N+]=[N-]
InChIInChI=1S/C21H41N3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19(3)20(4)21(6-2)23-24-22/h16-17,19-21H,5-15,18H2,1-4H3/t19-,20-,21?/m1/s1
InChIKeyWSGDXOZFDOVJEN-OSBQEZSISA-N
MW335.58 g/mol
LogP8.21
Rot. Bonds16

About (4R,5R)-3-azido-4,5-dimethylnonadec-7-ene

(4R,5R)-3-azido-4,5-dimethylnonadec-7-ene (PubChem CID 91027004) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is (4R,5R)-3-azido-4,5-dimethylnonadec-7-ene.

Molecular Properties

Compound Name(4R,5R)-3-azido-4,5-dimethylnonadec-7-ene
PubChem CID91027004
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name(4R,5R)-3-azido-4,5-dimethylnonadec-7-ene
SMILESCCCCCCCCCCCC=CC[C@@H](C)[C@@H](C)C(CC)N=[N+]=[N-]
InChIInChI=1S/C21H41N3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19(3)20(4)21(6-2)23-24-22/h16-17,19-21H,5-15,18H2,1-4H3/t19-,20-,21?/m1/s1
InChIKeyWSGDXOZFDOVJEN-OSBQEZSISA-N
XLogP8.21
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-azido-4,5-dimethylnonadec-7-ene?
The IUPAC name of (4R,5R)-3-azido-4,5-dimethylnonadec-7-ene (CID 91027004) is (4R,5R)-3-azido-4,5-dimethylnonadec-7-ene.
What is the SMILES notation for (4R,5R)-3-azido-4,5-dimethylnonadec-7-ene?
The canonical SMILES for (4R,5R)-3-azido-4,5-dimethylnonadec-7-ene is CCCCCCCCCCCC=CC[C@@H](C)[C@@H](C)C(CC)N=[N+]=[N-].
What is the InChIKey of (4R,5R)-3-azido-4,5-dimethylnonadec-7-ene?
The InChIKey is WSGDXOZFDOVJEN-OSBQEZSISA-N. The full InChI is InChI=1S/C21H41N3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19(3)20(4)21(6-2)23-24-22/h16-17,19-21H,5-15,18H2,1-4H3/t19-,20-,21?/m1/s1.
What are the key properties of (4R,5R)-3-azido-4,5-dimethylnonadec-7-ene?
(4R,5R)-3-azido-4,5-dimethylnonadec-7-ene has a molecular weight of 335.58 g/mol, XLogP of 8.21, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-azido-4,5-dimethylnonadec-7-ene is sourced from PubChem (CID 91027004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).