1-chlorotetradecane

C14H29Cl — CID 17043

IUPAC1-chlorotetradecane
SMILESCCCCCCCCCCCCCCCl
InChIInChI=1S/C14H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
InChIKeyRNHWYOLIEJIAMV-UHFFFAOYSA-N
MW232.84 g/mol
LogP5.93
Rot. Bonds12

About 1-chlorotetradecane

1-chlorotetradecane (PubChem CID 17043) has the molecular formula C14H29Cl and a molecular weight of 232.84 g/mol. Its IUPAC name is 1-chlorotetradecane.

Molecular Properties

Compound Name1-chlorotetradecane
PubChem CID17043
Molecular FormulaC14H29Cl
Molecular Weight232.84 g/mol
Exact Mass232.20
IUPAC Name1-chlorotetradecane
SMILESCCCCCCCCCCCCCCCl
InChIInChI=1S/C14H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
InChIKeyRNHWYOLIEJIAMV-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.84
LogP ≤ 55.93
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

1-Chlorooctane
CID 8142
1-Chlorooctadecane
CID 18815
1-Chlorododecane
CID 8192
2-Chlorooctane
CID 12347
1-Chlorodecane
CID 13848
1-Chlorohexadecane
CID 20993
Chlorinated paraffins (C12, 60% chlorine)
CID 22833489
1-Chlorononane
CID 17185
1,8-Dichlorooctane
CID 75102
1-Chloroheptane
CID 12371
1,9-Dichlorononane
CID 13191
1,10-Dichlorodecane
CID 75101

Frequently Asked Questions

What is the IUPAC name of 1-chlorotetradecane?
The IUPAC name of 1-chlorotetradecane (CID 17043) is 1-chlorotetradecane.
What is the SMILES notation for 1-chlorotetradecane?
The canonical SMILES for 1-chlorotetradecane is CCCCCCCCCCCCCCCl.
What is the InChIKey of 1-chlorotetradecane?
The InChIKey is RNHWYOLIEJIAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3.
What are the key properties of 1-chlorotetradecane?
1-chlorotetradecane has a molecular weight of 232.84 g/mol, XLogP of 5.93, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorotetradecane is sourced from PubChem (CID 17043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).