7-chloro-7-hexylheptadecane

C23H47Cl — CID 141000501

IUPAC7-chloro-7-hexylheptadecane
SMILESCCCCCCCCCCC(Cl)(CCCCCC)CCCCCC
InChIInChI=1S/C23H47Cl/c1-4-7-10-13-14-15-16-19-22-23(24,20-17-11-8-5-2)21-18-12-9-6-3/h4-22H2,1-3H3
InChIKeyPPSKLAOBCSHMJW-UHFFFAOYSA-N
MW359.08 g/mol
LogP9.44
Rot. Bonds19

About 7-chloro-7-hexylheptadecane

7-chloro-7-hexylheptadecane (PubChem CID 141000501) has the molecular formula C23H47Cl and a molecular weight of 359.08 g/mol. Its IUPAC name is 7-chloro-7-hexylheptadecane.

Molecular Properties

Compound Name7-chloro-7-hexylheptadecane
PubChem CID141000501
Molecular FormulaC23H47Cl
Molecular Weight359.08 g/mol
Exact Mass358.34
IUPAC Name7-chloro-7-hexylheptadecane
SMILESCCCCCCCCCCC(Cl)(CCCCCC)CCCCCC
InChIInChI=1S/C23H47Cl/c1-4-7-10-13-14-15-16-19-22-23(24,20-17-11-8-5-2)21-18-12-9-6-3/h4-22H2,1-3H3
InChIKeyPPSKLAOBCSHMJW-UHFFFAOYSA-N
XLogP9.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.08
LogP ≤ 59.44
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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CID 19690403
11-chloro-11-nonylhenicosane
CID 154304707
azane;12-chloro-12-undecyltetracosane
CID 88840214
azane;9-chloro-9-octyloctadecane;hydron
CID 22328165
azane;5-butyl-5-chlorodecane
CID 88839636
4,13-dichloro-4,13-dipropylhexadecane
CID 101326061
azane;3-chloro-3-ethylheptadecane
CID 87792751
1,1,1-trichlorononane
CID 6420387
2-chloro-2-methylheptadecane
CID 19869804
5,5-dichlorododecane
CID 90767172
azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane
CID 87152956
4-chloro-4-prop-2-enylhexadec-1-ene
CID 88822813

Frequently Asked Questions

What is the IUPAC name of 7-chloro-7-hexylheptadecane?
The IUPAC name of 7-chloro-7-hexylheptadecane (CID 141000501) is 7-chloro-7-hexylheptadecane.
What is the SMILES notation for 7-chloro-7-hexylheptadecane?
The canonical SMILES for 7-chloro-7-hexylheptadecane is CCCCCCCCCCC(Cl)(CCCCCC)CCCCCC.
What is the InChIKey of 7-chloro-7-hexylheptadecane?
The InChIKey is PPSKLAOBCSHMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47Cl/c1-4-7-10-13-14-15-16-19-22-23(24,20-17-11-8-5-2)21-18-12-9-6-3/h4-22H2,1-3H3.
What are the key properties of 7-chloro-7-hexylheptadecane?
7-chloro-7-hexylheptadecane has a molecular weight of 359.08 g/mol, XLogP of 9.44, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-7-hexylheptadecane is sourced from PubChem (CID 141000501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).