9-(3-bromopropyl)nonadecane

C22H45Br — CID 141467595

IUPAC9-(3-bromopropyl)nonadecane
SMILESCCCCCCCCCCC(CCCBr)CCCCCCCC
InChIInChI=1S/C22H45Br/c1-3-5-7-9-11-12-14-16-19-22(20-17-21-23)18-15-13-10-8-6-4-2/h22H,3-21H2,1-2H3
InChIKeyDHXUQSPWXDFLRH-UHFFFAOYSA-N
MW389.51 g/mol
LogP9.06
Rot. Bonds19

About 9-(3-bromopropyl)nonadecane

9-(3-bromopropyl)nonadecane (PubChem CID 141467595) has the molecular formula C22H45Br and a molecular weight of 389.51 g/mol. Its IUPAC name is 9-(3-bromopropyl)nonadecane.

Molecular Properties

Compound Name9-(3-bromopropyl)nonadecane
PubChem CID141467595
Molecular FormulaC22H45Br
Molecular Weight389.51 g/mol
Exact Mass388.27
IUPAC Name9-(3-bromopropyl)nonadecane
SMILESCCCCCCCCCCC(CCCBr)CCCCCCCC
InChIInChI=1S/C22H45Br/c1-3-5-7-9-11-12-14-16-19-22(20-17-21-23)18-15-13-10-8-6-4-2/h22H,3-21H2,1-2H3
InChIKeyDHXUQSPWXDFLRH-UHFFFAOYSA-N
XLogP9.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.51
LogP ≤ 59.06
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

15-(3-bromopropyl)hentriacontane
CID 18674718
9-(3-bromopropyl)heptadecane
CID 5152723
11-(7-bromoheptyl)tricosane
CID 175669850
1-bromo-8-pentyltridecane
CID 177012761
15-(2-bromoethyl)triacontane
CID 121349535
14-(2-bromoethyl)octacosane
CID 121349528
6-pentyldocosane
CID 90762104
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504

Frequently Asked Questions

What is the IUPAC name of 9-(3-bromopropyl)nonadecane?
The IUPAC name of 9-(3-bromopropyl)nonadecane (CID 141467595) is 9-(3-bromopropyl)nonadecane.
What is the SMILES notation for 9-(3-bromopropyl)nonadecane?
The canonical SMILES for 9-(3-bromopropyl)nonadecane is CCCCCCCCCCC(CCCBr)CCCCCCCC.
What is the InChIKey of 9-(3-bromopropyl)nonadecane?
The InChIKey is DHXUQSPWXDFLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45Br/c1-3-5-7-9-11-12-14-16-19-22(20-17-21-23)18-15-13-10-8-6-4-2/h22H,3-21H2,1-2H3.
What are the key properties of 9-(3-bromopropyl)nonadecane?
9-(3-bromopropyl)nonadecane has a molecular weight of 389.51 g/mol, XLogP of 9.06, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromopropyl)nonadecane is sourced from PubChem (CID 141467595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).