3,3-bis(bromomethyl)pentadecane

C17H34Br2 — CID 79455553

IUPAC3,3-bis(bromomethyl)pentadecane
SMILESCCCCCCCCCCCCC(CC)(CBr)CBr
InChIInChI=1S/C17H34Br2/c1-3-5-6-7-8-9-10-11-12-13-14-17(4-2,15-18)16-19/h3-16H2,1-2H3
InChIKeyRWSIWLPCVVNKDC-UHFFFAOYSA-N
MW398.27 g/mol
LogP7.48
Rot. Bonds14

About 3,3-bis(bromomethyl)pentadecane

3,3-bis(bromomethyl)pentadecane (PubChem CID 79455553) has the molecular formula C17H34Br2 and a molecular weight of 398.27 g/mol. Its IUPAC name is 3,3-bis(bromomethyl)pentadecane.

Molecular Properties

Compound Name3,3-bis(bromomethyl)pentadecane
PubChem CID79455553
Molecular FormulaC17H34Br2
Molecular Weight398.27 g/mol
Exact Mass396.10
IUPAC Name3,3-bis(bromomethyl)pentadecane
SMILESCCCCCCCCCCCCC(CC)(CBr)CBr
InChIInChI=1S/C17H34Br2/c1-3-5-6-7-8-9-10-11-12-13-14-17(4-2,15-18)16-19/h3-16H2,1-2H3
InChIKeyRWSIWLPCVVNKDC-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.27
LogP ≤ 57.48
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

5-(bromomethyl)-5-ethyldecane
CID 66050234
4,4-bis(bromomethyl)undecane
CID 79453128
7-butyl-7-ethyltetradecane
CID 174665936
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
9-(2-bromoethyl)-9-octylheptadecane
CID 141338192
10,10-dibutylicosane
CID 151498539
2-decyl-2-ethylpropane-1,3-diamine
CID 102189049
6,6-dipentylundecane
CID 19690398
1-bromo-16,16-diethyloctadecane
CID 141121710

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(bromomethyl)pentadecane?
The IUPAC name of 3,3-bis(bromomethyl)pentadecane (CID 79455553) is 3,3-bis(bromomethyl)pentadecane.
What is the SMILES notation for 3,3-bis(bromomethyl)pentadecane?
The canonical SMILES for 3,3-bis(bromomethyl)pentadecane is CCCCCCCCCCCCC(CC)(CBr)CBr.
What is the InChIKey of 3,3-bis(bromomethyl)pentadecane?
The InChIKey is RWSIWLPCVVNKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34Br2/c1-3-5-6-7-8-9-10-11-12-13-14-17(4-2,15-18)16-19/h3-16H2,1-2H3.
What are the key properties of 3,3-bis(bromomethyl)pentadecane?
3,3-bis(bromomethyl)pentadecane has a molecular weight of 398.27 g/mol, XLogP of 7.48, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(bromomethyl)pentadecane is sourced from PubChem (CID 79455553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).