17-chlorotritriacontane

C33H67Cl — CID 87852962

IUPAC17-chlorotritriacontane
SMILESCCCCCCCCCCCCCCCCC(Cl)CCCCCCCCCCCCCCCC
InChIInChI=1S/C33H67Cl/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3
InChIKeyDVFROXJCNDXZQB-UHFFFAOYSA-N
MW499.35 g/mol
LogP13.34
Rot. Bonds30

About 17-chlorotritriacontane

17-chlorotritriacontane (PubChem CID 87852962) has the molecular formula C33H67Cl and a molecular weight of 499.35 g/mol. Its IUPAC name is 17-chlorotritriacontane.

Molecular Properties

Compound Name17-chlorotritriacontane
PubChem CID87852962
Molecular FormulaC33H67Cl
Molecular Weight499.35 g/mol
Exact Mass498.49
IUPAC Name17-chlorotritriacontane
SMILESCCCCCCCCCCCCCCCCC(Cl)CCCCCCCCCCCCCCCC
InChIInChI=1S/C33H67Cl/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3
InChIKeyDVFROXJCNDXZQB-UHFFFAOYSA-N
XLogP13.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.35
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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3-chlorohenicosane
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1-bromo-3-chloropentadecane
CID 122583656
azane;1,3-dichloropentadecane
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CID 98052710
2-chlorooctadecan-1-ol
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7-chloro-1-iodoundecane
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Frequently Asked Questions

What is the IUPAC name of 17-chlorotritriacontane?
The IUPAC name of 17-chlorotritriacontane (CID 87852962) is 17-chlorotritriacontane.
What is the SMILES notation for 17-chlorotritriacontane?
The canonical SMILES for 17-chlorotritriacontane is CCCCCCCCCCCCCCCCC(Cl)CCCCCCCCCCCCCCCC.
What is the InChIKey of 17-chlorotritriacontane?
The InChIKey is DVFROXJCNDXZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H67Cl/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3.
What are the key properties of 17-chlorotritriacontane?
17-chlorotritriacontane has a molecular weight of 499.35 g/mol, XLogP of 13.34, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17-chlorotritriacontane is sourced from PubChem (CID 87852962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).