10-bromo-9-(bromomethyl)nonadecane

C20H40Br2 — CID 175002797

IUPAC10-bromo-9-(bromomethyl)nonadecane
SMILESCCCCCCCCCC(Br)C(CBr)CCCCCCCC
InChIInChI=1S/C20H40Br2/c1-3-5-7-9-11-13-15-17-20(22)19(18-21)16-14-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3
InChIKeyIGFNXJBUWLWLQX-UHFFFAOYSA-N
MW440.35 g/mol
LogP8.65
Rot. Bonds17

About 10-bromo-9-(bromomethyl)nonadecane

10-bromo-9-(bromomethyl)nonadecane (PubChem CID 175002797) has the molecular formula C20H40Br2 and a molecular weight of 440.35 g/mol. Its IUPAC name is 10-bromo-9-(bromomethyl)nonadecane.

Molecular Properties

Compound Name10-bromo-9-(bromomethyl)nonadecane
PubChem CID175002797
Molecular FormulaC20H40Br2
Molecular Weight440.35 g/mol
Exact Mass438.15
IUPAC Name10-bromo-9-(bromomethyl)nonadecane
SMILESCCCCCCCCCC(Br)C(CBr)CCCCCCCC
InChIInChI=1S/C20H40Br2/c1-3-5-7-9-11-13-15-17-20(22)19(18-21)16-14-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3
InChIKeyIGFNXJBUWLWLQX-UHFFFAOYSA-N
XLogP8.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.35
LogP ≤ 58.65
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

6-bromo-5-propyltridecane
CID 174956937
9,10-dioctylhexacosane
CID 21470284
7,8-dihexylicosane
CID 21490611
3-bromo-2-methyldodecane
CID 63470480
3-bromo-2-methyldecane
CID 63470479
8,9-dibutylhexadecane
CID 530025
4,5-dipropyltetradecane
CID 21490606
6-bromopentadecane
CID 86639780
8-hexyl-7-propyltriacontane
CID 21490607
7,8-dipropyltetradecane
CID 530307
12-bromodotriacontane
CID 122613066
11-octadecan-9-yl-10,12-dioctylhenicosane
CID 91046537

Frequently Asked Questions

What is the IUPAC name of 10-bromo-9-(bromomethyl)nonadecane?
The IUPAC name of 10-bromo-9-(bromomethyl)nonadecane (CID 175002797) is 10-bromo-9-(bromomethyl)nonadecane.
What is the SMILES notation for 10-bromo-9-(bromomethyl)nonadecane?
The canonical SMILES for 10-bromo-9-(bromomethyl)nonadecane is CCCCCCCCCC(Br)C(CBr)CCCCCCCC.
What is the InChIKey of 10-bromo-9-(bromomethyl)nonadecane?
The InChIKey is IGFNXJBUWLWLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40Br2/c1-3-5-7-9-11-13-15-17-20(22)19(18-21)16-14-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3.
What are the key properties of 10-bromo-9-(bromomethyl)nonadecane?
10-bromo-9-(bromomethyl)nonadecane has a molecular weight of 440.35 g/mol, XLogP of 8.65, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-9-(bromomethyl)nonadecane is sourced from PubChem (CID 175002797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).